1951 lines
58 KiB
C++
1951 lines
58 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "utils.h"
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#include "atom.h"
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#include "comm.h"
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#include "compute.h"
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#include "error.h"
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#include "fix.h"
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#include "memory.h"
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#include "modify.h"
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#include "text_file_reader.h"
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#include "tokenizer.h"
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#include "update.h"
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#include <algorithm>
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#include <cctype>
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#include <cerrno>
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#include <cstring>
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#if defined(__linux__)
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#include <unistd.h> // for readlink
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#endif
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#if defined(__APPLE__)
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#include <fcntl.h> // for fcntl
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#include <sys/syslimits.h>
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#endif
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#if defined(_WIN32)
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// target Windows version is Windows 7 and later
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#if defined(_WIN32_WINNT)
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#undef _WIN32_WINNT
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#endif
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#define _WIN32_WINNT _WIN32_WINNT_WIN7
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#include <io.h>
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#include <windows.h>
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#endif
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/*! \file utils.cpp */
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/*
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* Mini regex-module adapted from https://github.com/kokke/tiny-regex-c
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* which is in the public domain.
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*
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* Supports:
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* ---------
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* '.' Dot, matches any character
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* '^' Start anchor, matches beginning of string
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* '$' End anchor, matches end of string
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* '*' Asterisk, match zero or more (greedy)
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* '+' Plus, match one or more (greedy)
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* '?' Question, match zero or one (non-greedy)
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* '[abc]' Character class, match if one of {'a', 'b', 'c'}
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* '[a-zA-Z]' Character ranges, the character set of the ranges { a-z | A-Z }
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* '\s' Whitespace, \t \f \r \n \v and spaces
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* '\S' Non-whitespace
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* '\w' Alphanumeric, [a-zA-Z0-9_]
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* '\W' Non-alphanumeric
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* '\d' Digits, [0-9]
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* '\D' Non-digits
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* '\i' Integer chars, [0-9], '+' and '-'
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* '\I' Non-integers
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* '\f' Floating point number chars, [0-9], '.', 'e', 'E', '+' and '-'
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* '\F' Non-floats
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*
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* *NOT* supported:
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* '[^abc]' Inverted class
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* 'a|b' Branches
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* '(abc)+' Groups
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*/
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extern "C" {
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/** Match text against a (simplified) regular expression
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* (regexp will be compiled automatically). */
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static int re_match(const char *text, const char *pattern);
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/** Match find substring that matches a (simplified) regular expression
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* (regexp will be compiled automatically). */
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static int re_find(const char *text, const char *pattern, int *matchlen);
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}
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////////////////////////////////////////////////////////////////////////
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// Merge sort support functions
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static void do_merge(int *idx, int *buf, int llo, int lhi, int rlo, int rhi, void *ptr,
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int (*comp)(int, int, void *));
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static void insertion_sort(int *index, int num, void *ptr, int (*comp)(int, int, void *));
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////////////////////////////////////////////////////////////////////////
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using namespace LAMMPS_NS;
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/** More flexible and specific matching of a string against a pattern.
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* This function is supposed to be a more safe, more specific and
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* simple to use API to find pattern matches. The purpose is to replace
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* uses of either strncmp() or strstr() in the code base to find
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* sub-strings safely. With strncmp() finding prefixes, the number of
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* characters to match must be counted, which can lead to errors,
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* while using "^pattern" will do the same with less problems.
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* Matching for suffixes using strstr() is not as specific as 'pattern$',
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* and complex matches, e.g. "^rigid.*\/small.*", to match all small
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* body optimized rigid fixes require only one test.
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*
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* The use of std::string arguments allows for simple concatenation
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* even with char * type variables.
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* Example: utils::strmatch(text, std::string("^") + charptr)
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*/
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bool utils::strmatch(const std::string &text, const std::string &pattern)
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{
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const int pos = re_match(text.c_str(), pattern.c_str());
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return (pos >= 0);
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}
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/** This function is a companion function to utils::strmatch(). Arguments
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* and logic is the same, but instead of a boolean, it returns the
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* sub-string that matches the regex pattern. There can be only one match.
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* This can be used as a more flexible alternative to strstr().
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*/
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std::string utils::strfind(const std::string &text, const std::string &pattern)
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{
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int matchlen;
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const int pos = re_find(text.c_str(), pattern.c_str(), &matchlen);
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if ((pos >= 0) && (matchlen > 0))
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return text.substr(pos, matchlen);
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else
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return "";
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}
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/* specialization for the case of just a single string argument */
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void utils::logmesg(LAMMPS *lmp, const std::string &mesg)
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{
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if (lmp->screen) fputs(mesg.c_str(), lmp->screen);
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if (lmp->logfile) fputs(mesg.c_str(), lmp->logfile);
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}
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void utils::fmtargs_logmesg(LAMMPS *lmp, fmt::string_view format, fmt::format_args args)
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{
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try {
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logmesg(lmp, fmt::vformat(format, args));
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} catch (fmt::format_error &e) {
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logmesg(lmp, std::string(e.what()) + "\n");
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}
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}
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/* define this here, so we won't have to include the headers
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everywhere and utils.h will more likely be included anyway. */
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std::string utils::getsyserror()
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{
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return std::string(strerror(errno));
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}
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/** On Linux the folder /proc/self/fd holds symbolic links to the actual
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* pathnames associated with each open file descriptor of the current process.
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* On macOS the same kind of information can be obtained using ``fcntl(fd,F_GETPATH,buf)``.
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* On Windows we use ``GetFinalPathNameByHandleA()`` which is available with
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* Windows Vista and later.
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*
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* This function is used to provide a filename with error messages in functions
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* where the filename is not passed as an argument, but the FILE * pointer.
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*/
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const char *utils::guesspath(char *buf, int len, FILE *fp)
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{
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memset(buf, 0, len);
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#if defined(__linux__)
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int fd = fileno(fp);
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// get pathname from /proc or copy (unknown)
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if (readlink(fmt::format("/proc/self/fd/{}", fd).c_str(), buf, len - 1) <= 0)
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strncpy(buf, "(unknown)", len - 1);
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#elif defined(__APPLE__)
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int fd = fileno(fp);
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char filepath[PATH_MAX];
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if (fcntl(fd, F_GETPATH, filepath) != -1)
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strncpy(buf, filepath, len - 1);
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else
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strncpy(buf, "(unknown)", len - 1);
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#elif defined(_WIN32)
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char filepath[MAX_PATH];
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HANDLE h = (HANDLE) _get_osfhandle(_fileno(fp));
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if (GetFinalPathNameByHandleA(h, filepath, PATH_MAX, FILE_NAME_NORMALIZED) > 0)
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strncpy(buf, filepath, len - 1);
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else
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strncpy(buf, "(unknown)", len - 1);
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#else
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strncpy(buf, "(unknown)", len - 1);
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#endif
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return buf;
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}
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// read line into buffer. if line is too long keep reading until EOL or EOF
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// but return only the first part with a newline at the end.
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char *utils::fgets_trunc(char *buf, int size, FILE *fp)
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{
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constexpr int MAXDUMMY = 256;
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char dummy[MAXDUMMY];
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char *ptr = fgets(buf, size, fp);
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// EOF?
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if (!ptr) return nullptr;
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int n = strlen(buf);
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// check the string being read in:
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// - if string is shorter than the buffer make sure it has a final newline and return
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// - if string is exactly the size of the buffer and has a final newline return
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// - otherwise truncate with final newline and read into dummy buffer until EOF or newline is found
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if (n < size - 1) {
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if (buf[n - 1] != '\n') {
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buf[n] = '\n';
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buf[n + 1] = '\0';
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}
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return buf;
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} else if (buf[n - 1] == '\n') {
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return buf;
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} else
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buf[size - 2] = '\n';
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// continue reading into dummy buffer until end of line or file
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do {
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ptr = fgets(dummy, MAXDUMMY, fp);
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if (ptr)
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n = strlen(ptr);
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else
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n = 0;
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} while (n == MAXDUMMY - 1 && ptr[MAXDUMMY - 1] != '\n');
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// return truncated chunk
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return buf;
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}
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/* like fgets() but aborts with an error or EOF is encountered */
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void utils::sfgets(const char *srcname, int srcline, char *s, int size, FILE *fp,
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const char *filename, Error *error)
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{
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constexpr int MAXPATHLENBUF = 1024;
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char *rv = fgets(s, size, fp);
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if (rv == nullptr) { // something went wrong
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char buf[MAXPATHLENBUF];
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std::string errmsg;
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// try to figure out the file name from the file pointer
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if (!filename) filename = guesspath(buf, MAXPATHLENBUF, fp);
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if (feof(fp)) {
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errmsg = "Unexpected end of file while reading file '";
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} else if (ferror(fp)) {
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errmsg = "Unexpected error while reading file '";
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} else {
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errmsg = "Unexpected short read while reading file '";
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}
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errmsg += filename;
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errmsg += "'";
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if (error) error->one(srcname, srcline, errmsg);
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if (s) *s = '\0'; // truncate string to empty in case error is null pointer
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}
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return;
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}
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/* like fread() but aborts with an error or EOF is encountered */
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void utils::sfread(const char *srcname, int srcline, void *s, size_t size, size_t num, FILE *fp,
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const char *filename, Error *error)
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{
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constexpr int MAXPATHLENBUF = 1024;
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size_t rv = fread(s, size, num, fp);
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if (rv != num) { // something went wrong
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char buf[MAXPATHLENBUF];
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std::string errmsg;
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// try to figure out the file name from the file pointer
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if (!filename) filename = guesspath(buf, MAXPATHLENBUF, fp);
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if (feof(fp)) {
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errmsg = "Unexpected end of file while reading file '";
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} else if (ferror(fp)) {
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errmsg = "Unexpected error while reading file '";
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} else {
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errmsg = "Unexpected short read while reading file '";
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}
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errmsg += filename;
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errmsg += "'";
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if (error) error->one(srcname, srcline, errmsg);
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}
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return;
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}
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/* ------------------------------------------------------------------ */
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/* read N lines and broadcast */
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int utils::read_lines_from_file(FILE *fp, int nlines, int nmax, char *buffer, int me, MPI_Comm comm)
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{
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char *ptr = buffer;
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*ptr = '\0';
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if (me == 0) {
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if (fp) {
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for (int i = 0; i < nlines; i++) {
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ptr = fgets_trunc(ptr, nmax, fp);
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if (!ptr) break; // EOF?
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// advance ptr to end of string
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ptr += strlen(ptr);
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// ensure buffer is null terminated. null char is start of next line.
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*ptr = '\0';
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}
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}
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}
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int n = strlen(buffer);
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MPI_Bcast(&n, 1, MPI_INT, 0, comm);
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if (n == 0) return 1;
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MPI_Bcast(buffer, n + 1, MPI_CHAR, 0, comm);
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return 0;
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}
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/* ------------------------------------------------------------------ */
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std::string utils::check_packages_for_style(const std::string &style, const std::string &name,
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LAMMPS *lmp)
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{
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std::string errmsg = "Unrecognized " + style + " style '" + name + "'";
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const char *pkg = lmp->match_style(style.c_str(), name.c_str());
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if (pkg) {
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errmsg += fmt::format(" is part of the {} package", pkg);
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if (lmp->is_installed_pkg(pkg))
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errmsg += ", but seems to be missing because of a dependency";
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else
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errmsg += " which is not enabled in this LAMMPS binary.";
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}
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return errmsg;
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}
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/* ----------------------------------------------------------------------
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read a boolean value from a string
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transform to lower case before checking
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generate an error if is not a legitimate boolean
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called by various commands to check validity of their arguments
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------------------------------------------------------------------------- */
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bool utils::logical(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp)
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{
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int n = 0;
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if (str) n = strlen(str);
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if (n == 0) {
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const char msg[] = "Expected boolean parameter instead of NULL or empty string "
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"in input script or data file";
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if (do_abort)
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lmp->error->one(file, line, msg);
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else
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lmp->error->all(file, line, msg);
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}
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// convert to ascii and lowercase
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std::string buf(str);
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if (has_utf8(buf)) buf = utf8_subst(buf);
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std::transform(buf.begin(), buf.end(), buf.begin(), tolower);
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bool rv = false;
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if ((buf == "yes") || (buf == "on") || (buf == "true") || (buf == "1")) {
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rv = true;
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} else if ((buf == "no") || (buf == "off") || (buf == "false") || (buf == "0")) {
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rv = false;
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} else {
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std::string msg("Expected boolean parameter instead of '");
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msg += buf + "' in input script or data file";
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if (do_abort)
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lmp->error->one(file, line, msg);
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else
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lmp->error->all(file, line, msg);
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}
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return rv;
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}
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/* ----------------------------------------------------------------------
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read a floating point value from a string
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generate an error if not a legitimate floating point value
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called by various commands to check validity of their arguments
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------------------------------------------------------------------------- */
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double utils::numeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp)
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{
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int n = 0;
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if (str) n = strlen(str);
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if (n == 0) {
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const char msg[] = "Expected floating point parameter instead of"
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" NULL or empty string in input script or data file";
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if (do_abort)
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lmp->error->one(file, line, msg);
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else
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lmp->error->all(file, line, msg);
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}
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std::string buf(str);
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if (has_utf8(buf)) buf = utf8_subst(buf);
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if (buf.find_first_not_of("0123456789-+.eE") != std::string::npos) {
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std::string msg("Expected floating point parameter instead of '");
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msg += buf + "' in input script or data file";
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if (do_abort)
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lmp->error->one(file, line, msg);
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else
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lmp->error->all(file, line, msg);
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}
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return atof(buf.c_str());
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}
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/* ----------------------------------------------------------------------
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read an integer value from a string
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generate an error if not a legitimate integer value
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called by various commands to check validity of their arguments
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------------------------------------------------------------------------- */
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int utils::inumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp)
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{
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int n = 0;
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if (str) n = strlen(str);
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if (n == 0) {
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const char msg[] = "Expected integer parameter instead of"
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" NULL or empty string in input script or data file";
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if (do_abort)
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lmp->error->one(file, line, msg);
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else
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lmp->error->all(file, line, msg);
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}
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std::string buf(str);
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if (has_utf8(buf)) buf = utf8_subst(buf);
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if (buf.find_first_not_of("0123456789-+") != std::string::npos) {
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std::string msg("Expected integer parameter instead of '");
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msg += buf + "' in input script or data file";
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if (do_abort)
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lmp->error->one(file, line, msg);
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else
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lmp->error->all(file, line, msg);
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}
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return atoi(buf.c_str());
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}
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/* ----------------------------------------------------------------------
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read a big integer value from a string
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generate an error if not a legitimate integer value
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called by various commands to check validity of their arguments
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------------------------------------------------------------------------- */
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bigint utils::bnumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp)
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{
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int n = 0;
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if (str) n = strlen(str);
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if (n == 0) {
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const char msg[] = "Expected integer parameter instead of"
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" NULL or empty string in input script or data file";
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if (do_abort)
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lmp->error->one(file, line, msg);
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else
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lmp->error->all(file, line, msg);
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}
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std::string buf(str);
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if (has_utf8(buf)) buf = utf8_subst(buf);
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if (buf.find_first_not_of("0123456789-+") != std::string::npos) {
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std::string msg("Expected integer parameter instead of '");
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msg += buf + "' in input script or data file";
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if (do_abort)
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lmp->error->one(file, line, msg);
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else
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lmp->error->all(file, line, msg);
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}
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return ATOBIGINT(buf.c_str());
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}
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/* ----------------------------------------------------------------------
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read a tag integer value from a string
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generate an error if not a legitimate integer value
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called by various commands to check validity of their arguments
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------------------------------------------------------------------------- */
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tagint utils::tnumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp)
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{
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|
int n = 0;
|
|
|
|
if (str) n = strlen(str);
|
|
if (n == 0) {
|
|
const char msg[] = "Expected integer parameter instead of"
|
|
" NULL or empty string in input script or data file";
|
|
if (do_abort)
|
|
lmp->error->one(file, line, msg);
|
|
else
|
|
lmp->error->all(file, line, msg);
|
|
}
|
|
|
|
std::string buf(str);
|
|
if (has_utf8(buf)) buf = utf8_subst(buf);
|
|
|
|
if (buf.find_first_not_of("0123456789-+") != std::string::npos) {
|
|
std::string msg("Expected integer parameter instead of '");
|
|
msg += buf + "' in input script or data file";
|
|
if (do_abort)
|
|
lmp->error->one(file, line, msg);
|
|
else
|
|
lmp->error->all(file, line, msg);
|
|
}
|
|
|
|
return ATOTAGINT(buf.c_str());
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
compute bounds implied by numeric str with a possible wildcard asterisk
|
|
------------------------------------------------------------------------- */
|
|
// clang-format off
|
|
template <typename TYPE>
|
|
void utils::bounds(const char *file, int line, const std::string &str,
|
|
bigint nmin, bigint nmax, TYPE &nlo, TYPE &nhi, Error *error)
|
|
{
|
|
nlo = nhi = -1;
|
|
|
|
// check for illegal charcters
|
|
size_t found = str.find_first_not_of("*-0123456789");
|
|
if (found != std::string::npos) {
|
|
if (error) error->all(file, line, fmt::format("Invalid range string: {}", str));
|
|
return;
|
|
}
|
|
|
|
found = str.find_first_of("*");
|
|
if (found == std::string::npos) { // contains no '*'
|
|
nlo = nhi = strtol(str.c_str(), nullptr, 10);
|
|
} else if (str.size() == 1) { // is only '*'
|
|
nlo = nmin;
|
|
nhi = nmax;
|
|
} else if (found == 0) { // is '*j'
|
|
nlo = nmin;
|
|
nhi = strtol(str.substr(1).c_str(), nullptr, 10);
|
|
} else if (str.size() == found + 1) { // is 'i*'
|
|
nlo = strtol(str.c_str(), nullptr, 10);
|
|
nhi = nmax;
|
|
} else { // is 'i*j'
|
|
nlo = strtol(str.c_str(), nullptr, 10);
|
|
nhi = strtol(str.substr(found + 1).c_str(), nullptr, 10);
|
|
}
|
|
|
|
if (error) {
|
|
if ((nlo <= 0) || (nhi <= 0))
|
|
error->all(file, line, fmt::format("Invalid range string: {}", str));
|
|
|
|
if (nlo < nmin)
|
|
error->all(file, line, fmt::format("Numeric index {} is out of bounds "
|
|
"({}-{})", nlo, nmin, nmax));
|
|
else if (nhi > nmax)
|
|
error->all(file, line, fmt::format("Numeric index {} is out of bounds "
|
|
"({}-{})", nhi, nmin, nmax));
|
|
else if (nlo > nhi)
|
|
error->all(file, line, fmt::format("Numeric index {} is out of bounds "
|
|
"({}-{})", nlo, nmin, nhi));
|
|
}
|
|
}
|
|
|
|
template void utils::bounds<>(const char *, int, const std::string &,
|
|
bigint, bigint, int &, int &, Error *);
|
|
template void utils::bounds<>(const char *, int, const std::string &,
|
|
bigint, bigint, long &, long &, Error *);
|
|
template void utils::bounds<>(const char *, int, const std::string &,
|
|
bigint, bigint, long long &, long long &, Error *);
|
|
// clang-format on
|
|
|
|
/* -------------------------------------------------------------------------
|
|
Expand list of arguments in arg to earg if arg contains wildcards
|
|
------------------------------------------------------------------------- */
|
|
|
|
int utils::expand_args(const char *file, int line, int narg, char **arg, int mode, char **&earg,
|
|
LAMMPS *lmp)
|
|
{
|
|
int iarg;
|
|
|
|
char *ptr = nullptr;
|
|
for (iarg = 0; iarg < narg; iarg++) {
|
|
ptr = strchr(arg[iarg], '*');
|
|
if (ptr) break;
|
|
}
|
|
|
|
if (!ptr) {
|
|
earg = arg;
|
|
return narg;
|
|
}
|
|
|
|
// maxarg should always end up equal to newarg, so caller can free earg
|
|
|
|
int maxarg = narg - iarg;
|
|
earg = (char **) lmp->memory->smalloc(maxarg * sizeof(char *), "input:earg");
|
|
|
|
int newarg = 0, expandflag, nlo, nhi, nmax;
|
|
std::string id, wc, tail;
|
|
|
|
for (iarg = 0; iarg < narg; iarg++) {
|
|
std::string word(arg[iarg]);
|
|
expandflag = 0;
|
|
|
|
// match compute, fix, or custom property array reference with a '*' wildcard
|
|
// number range in the first pair of square brackets
|
|
|
|
if (strmatch(word, "^[cf]_\\w+\\[\\d*\\*\\d*\\]") ||
|
|
strmatch(word, "^[id]2_\\w+\\[\\d*\\*\\d*\\]")) {
|
|
|
|
// split off the compute/fix/property ID, the wildcard and trailing text
|
|
|
|
size_t first = word.find("[");
|
|
size_t second = word.find("]", first + 1);
|
|
if (word[1] == '2')
|
|
id = word.substr(3, first - 3);
|
|
else
|
|
id = word.substr(2, first - 2);
|
|
|
|
wc = word.substr(first + 1, second - first - 1);
|
|
tail = word.substr(second + 1);
|
|
|
|
// compute
|
|
|
|
if (word[0] == 'c') {
|
|
int icompute = lmp->modify->find_compute(id);
|
|
|
|
// check for global vector/array, peratom array, local array
|
|
|
|
if (icompute >= 0) {
|
|
Compute *compute = lmp->modify->compute[icompute];
|
|
if (mode == 0 && compute->vector_flag) {
|
|
nmax = compute->size_vector;
|
|
expandflag = 1;
|
|
} else if (mode == 1 && compute->array_flag) {
|
|
nmax = compute->size_array_cols;
|
|
expandflag = 1;
|
|
} else if (compute->peratom_flag && compute->size_peratom_cols) {
|
|
nmax = compute->size_peratom_cols;
|
|
expandflag = 1;
|
|
} else if (compute->local_flag && compute->size_local_cols) {
|
|
nmax = compute->size_local_cols;
|
|
expandflag = 1;
|
|
}
|
|
}
|
|
|
|
// fix
|
|
|
|
} else if (word[0] == 'f') {
|
|
int ifix = lmp->modify->find_fix(id);
|
|
|
|
// check for global vector/array, peratom array, local array
|
|
|
|
if (ifix >= 0) {
|
|
Fix *fix = lmp->modify->fix[ifix];
|
|
|
|
if (mode == 0 && fix->vector_flag) {
|
|
nmax = fix->size_vector;
|
|
expandflag = 1;
|
|
} else if (mode == 1 && fix->array_flag) {
|
|
nmax = fix->size_array_cols;
|
|
expandflag = 1;
|
|
} else if (fix->peratom_flag && fix->size_peratom_cols) {
|
|
nmax = fix->size_peratom_cols;
|
|
expandflag = 1;
|
|
} else if (fix->local_flag && fix->size_local_cols) {
|
|
nmax = fix->size_local_cols;
|
|
expandflag = 1;
|
|
}
|
|
}
|
|
|
|
// only match custom array reference with a '*' wildcard
|
|
// number range in the first pair of square brackets
|
|
|
|
} else if ((word[0] == 'i') || (word[0] == 'd')) {
|
|
int flag, cols;
|
|
int icustom = lmp->atom->find_custom(id.c_str(), flag, cols);
|
|
|
|
if ((icustom >= 0) && (mode == 1) && (cols > 0)) {
|
|
|
|
// check for custom per-atom array
|
|
|
|
if (((word[0] == 'i') && (flag == 0)) || ((word[0] == 'd') && (flag == 1))) {
|
|
nmax = cols;
|
|
expandflag = 1;
|
|
}
|
|
}
|
|
}
|
|
}
|
|
|
|
// expansion will take place
|
|
|
|
if (expandflag) {
|
|
|
|
// expand wild card string to nlo/nhi numbers
|
|
utils::bounds(file, line, wc, 1, nmax, nlo, nhi, lmp->error);
|
|
|
|
if (newarg + nhi - nlo + 1 > maxarg) {
|
|
maxarg += nhi - nlo + 1;
|
|
earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
|
|
}
|
|
|
|
for (int index = nlo; index <= nhi; index++) {
|
|
earg[newarg] = utils::strdup(fmt::format("{}2_{}[{}]{}", word[0], id, index, tail));
|
|
newarg++;
|
|
}
|
|
} else {
|
|
// no expansion: duplicate original string
|
|
if (newarg == maxarg) {
|
|
maxarg++;
|
|
earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
|
|
}
|
|
earg[newarg] = utils::strdup(word);
|
|
newarg++;
|
|
}
|
|
}
|
|
|
|
//printf("NEWARG %d\n",newarg);
|
|
//for (int i = 0; i < newarg; i++)
|
|
// printf(" arg %d: %s\n",i,earg[i]);
|
|
|
|
return newarg;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Make copy of string in new storage. Works like the (non-portable)
|
|
C-style strdup() but also accepts a C++ string as argument.
|
|
------------------------------------------------------------------------- */
|
|
|
|
char *utils::strdup(const std::string &text)
|
|
{
|
|
char *tmp = new char[text.size() + 1];
|
|
strcpy(tmp, text.c_str()); // NOLINT
|
|
return tmp;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Return string without leading or trailing whitespace
|
|
------------------------------------------------------------------------- */
|
|
|
|
std::string utils::trim(const std::string &line)
|
|
{
|
|
int beg = re_match(line.c_str(), "\\S+");
|
|
int end = re_match(line.c_str(), "\\s+$");
|
|
if (beg < 0) beg = 0;
|
|
if (end < 0) end = line.size();
|
|
|
|
return line.substr(beg, end - beg);
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Return string without trailing # comment
|
|
------------------------------------------------------------------------- */
|
|
|
|
std::string utils::trim_comment(const std::string &line)
|
|
{
|
|
auto end = line.find_first_of("#");
|
|
if (end != std::string::npos) { return line.substr(0, end); }
|
|
return std::string(line);
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Replace UTF-8 encoded chars with known ASCII equivalents
|
|
------------------------------------------------------------------------- */
|
|
|
|
std::string utils::utf8_subst(const std::string &line)
|
|
{
|
|
const unsigned char *const in = (const unsigned char *) line.c_str();
|
|
const int len = line.size();
|
|
std::string out;
|
|
|
|
for (int i = 0; i < len; ++i) {
|
|
|
|
// UTF-8 2-byte character
|
|
if ((in[i] & 0xe0U) == 0xc0U) {
|
|
if ((i + 1) < len) {
|
|
// NON-BREAKING SPACE (U+00A0)
|
|
if ((in[i] == 0xc2U) && (in[i + 1] == 0xa0U)) out += ' ', ++i;
|
|
// MODIFIER LETTER PLUS SIGN (U+02D6)
|
|
if ((in[i] == 0xcbU) && (in[i + 1] == 0x96U)) out += '+', ++i;
|
|
// MODIFIER LETTER MINUS SIGN (U+02D7)
|
|
if ((in[i] == 0xcbU) && (in[i + 1] == 0x97U)) out += '-', ++i;
|
|
}
|
|
// UTF-8 3-byte character
|
|
} else if ((in[i] & 0xf0U) == 0xe0U) {
|
|
if ((i + 2) < len) {
|
|
// EN QUAD (U+2000)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x80U)) out += ' ', i += 2;
|
|
// EM QUAD (U+2001)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x81U)) out += ' ', i += 2;
|
|
// EN SPACE (U+2002)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x82U)) out += ' ', i += 2;
|
|
// EM SPACE (U+2003)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x83U)) out += ' ', i += 2;
|
|
// THREE-PER-EM SPACE (U+2004)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x84U)) out += ' ', i += 2;
|
|
// FOUR-PER-EM SPACE (U+2005)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x85U)) out += ' ', i += 2;
|
|
// SIX-PER-EM SPACE (U+2006)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x86U)) out += ' ', i += 2;
|
|
// FIGURE SPACE (U+2007)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x87U)) out += ' ', i += 2;
|
|
// PUNCTUATION SPACE (U+2008)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x88U)) out += ' ', i += 2;
|
|
// THIN SPACE (U+2009)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x89U)) out += ' ', i += 2;
|
|
// HAIR SPACE (U+200A)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x8aU)) out += ' ', i += 2;
|
|
// ZERO WIDTH SPACE (U+200B)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x8bU)) out += ' ', i += 2;
|
|
// LEFT SINGLE QUOTATION MARK (U+2018)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x98U)) out += '\'', i += 2;
|
|
// RIGHT SINGLE QUOTATION MARK (U+2019)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x99U)) out += '\'', i += 2;
|
|
// LEFT DOUBLE QUOTATION MARK (U+201C)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x9cU)) out += '"', i += 2;
|
|
// RIGHT DOUBLE QUOTATION MARK (U+201D)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0x9dU)) out += '"', i += 2;
|
|
// NARROW NO-BREAK SPACE (U+202F)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x80U) && (in[i + 2] == 0xafU)) out += ' ', i += 2;
|
|
// WORD JOINER (U+2060)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x81U) && (in[i + 2] == 0xa0U)) out += ' ', i += 2;
|
|
// INVISIBLE SEPARATOR (U+2063)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x81U) && (in[i + 2] == 0xa3U)) out += ' ', i += 2;
|
|
// INVISIBLE PLUS (U+2064)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x81U) && (in[i + 2] == 0xa4U)) out += '+', i += 2;
|
|
// MINUS SIGN (U+2212)
|
|
if ((in[i] == 0xe2U) && (in[i + 1] == 0x88U) && (in[i + 2] == 0x92U)) out += '-', i += 2;
|
|
// ZERO WIDTH NO-BREAK SPACE (U+FEFF)
|
|
if ((in[i] == 0xefU) && (in[i + 1] == 0xbbU) && (in[i + 2] == 0xbfU)) out += ' ', i += 2;
|
|
}
|
|
// UTF-8 4-byte character
|
|
} else if ((in[i] & 0xf8U) == 0xf0U) {
|
|
if ((i + 3) < len) { ; }
|
|
} else
|
|
out += in[i];
|
|
}
|
|
return out;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
return number of words
|
|
------------------------------------------------------------------------- */
|
|
|
|
size_t utils::count_words(const char *text)
|
|
{
|
|
size_t count = 0;
|
|
const char *buf = text;
|
|
char c = *buf;
|
|
|
|
while (c) {
|
|
if (c == ' ' || c == '\t' || c == '\r' || c == '\n' || c == '\f') {
|
|
c = *++buf;
|
|
continue;
|
|
};
|
|
|
|
++count;
|
|
c = *++buf;
|
|
|
|
while (c) {
|
|
if (c == ' ' || c == '\t' || c == '\r' || c == '\n' || c == '\f') { break; }
|
|
c = *++buf;
|
|
}
|
|
}
|
|
|
|
return count;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
return number of words
|
|
------------------------------------------------------------------------- */
|
|
|
|
size_t utils::count_words(const std::string &text)
|
|
{
|
|
return utils::count_words(text.c_str());
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Return number of words
|
|
------------------------------------------------------------------------- */
|
|
|
|
size_t utils::count_words(const std::string &text, const std::string &separators)
|
|
{
|
|
size_t count = 0;
|
|
size_t start = text.find_first_not_of(separators);
|
|
|
|
while (start != std::string::npos) {
|
|
size_t end = text.find_first_of(separators, start);
|
|
++count;
|
|
|
|
if (end == std::string::npos) {
|
|
return count;
|
|
} else {
|
|
start = text.find_first_not_of(separators, end + 1);
|
|
}
|
|
}
|
|
return count;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Trim comment from string and return number of words
|
|
------------------------------------------------------------------------- */
|
|
|
|
size_t utils::trim_and_count_words(const std::string &text, const std::string &separators)
|
|
{
|
|
return utils::count_words(utils::trim_comment(text), separators);
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Convert string into words on whitespace while handling single and
|
|
double quotes.
|
|
------------------------------------------------------------------------- */
|
|
std::vector<std::string> utils::split_words(const std::string &text)
|
|
{
|
|
std::vector<std::string> list;
|
|
const char *buf = text.c_str();
|
|
std::size_t beg = 0;
|
|
std::size_t len = 0;
|
|
std::size_t add = 0;
|
|
char c = *buf;
|
|
|
|
while (c) {
|
|
// leading whitespace
|
|
if (c == ' ' || c == '\t' || c == '\r' || c == '\n' || c == '\f') {
|
|
c = *++buf;
|
|
++beg;
|
|
continue;
|
|
};
|
|
len = 0;
|
|
|
|
// handle escaped/quoted text.
|
|
quoted:
|
|
|
|
// handle single quote
|
|
if (c == '\'') {
|
|
++beg;
|
|
add = 1;
|
|
c = *++buf;
|
|
while (((c != '\'') && (c != '\0')) || ((c == '\\') && (buf[1] == '\''))) {
|
|
if ((c == '\\') && (buf[1] == '\'')) {
|
|
++buf;
|
|
++len;
|
|
}
|
|
c = *++buf;
|
|
++len;
|
|
}
|
|
if (c != '\'') ++len;
|
|
c = *++buf;
|
|
|
|
// handle triple double quotation marks
|
|
} else if ((c == '"') && (buf[1] == '"') && (buf[2] == '"') && (buf[3] != '"')) {
|
|
len = 3;
|
|
add = 1;
|
|
buf += 3;
|
|
c = *buf;
|
|
|
|
// handle double quote
|
|
} else if (c == '"') {
|
|
++beg;
|
|
add = 1;
|
|
c = *++buf;
|
|
while (((c != '"') && (c != '\0')) || ((c == '\\') && (buf[1] == '"'))) {
|
|
if ((c == '\\') && (buf[1] == '"')) {
|
|
++buf;
|
|
++len;
|
|
}
|
|
c = *++buf;
|
|
++len;
|
|
}
|
|
if (c != '"') ++len;
|
|
c = *++buf;
|
|
}
|
|
|
|
// unquoted
|
|
while (1) {
|
|
if ((c == '\'') || (c == '"')) goto quoted;
|
|
// skip escaped quote
|
|
if ((c == '\\') && ((buf[1] == '\'') || (buf[1] == '"'))) {
|
|
++buf;
|
|
++len;
|
|
c = *++buf;
|
|
++len;
|
|
}
|
|
if ((c == ' ') || (c == '\t') || (c == '\r') || (c == '\n') || (c == '\f') || (c == '\0')) {
|
|
list.push_back(text.substr(beg, len));
|
|
beg += len + add;
|
|
break;
|
|
}
|
|
c = *++buf;
|
|
++len;
|
|
}
|
|
}
|
|
return list;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Convert multi-line string into lines
|
|
------------------------------------------------------------------------- */
|
|
std::vector<std::string> utils::split_lines(const std::string &text)
|
|
{
|
|
return Tokenizer(text, "\n").as_vector();
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Return whether string is a valid integer number
|
|
------------------------------------------------------------------------- */
|
|
|
|
bool utils::is_integer(const std::string &str)
|
|
{
|
|
if (str.empty()) return false;
|
|
|
|
for (auto c : str) {
|
|
if (isdigit(c) || c == '-' || c == '+') continue;
|
|
return false;
|
|
}
|
|
return true;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Return whether string is a valid floating-point number
|
|
------------------------------------------------------------------------- */
|
|
|
|
bool utils::is_double(const std::string &str)
|
|
{
|
|
if (str.empty()) return false;
|
|
|
|
for (auto c : str) {
|
|
if (isdigit(c)) continue;
|
|
if (c == '-' || c == '+' || c == '.') continue;
|
|
if (c == 'e' || c == 'E') continue;
|
|
return false;
|
|
}
|
|
return true;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Return whether string is a valid ID string
|
|
------------------------------------------------------------------------- */
|
|
|
|
bool utils::is_id(const std::string &str)
|
|
{
|
|
if (str.empty()) return false;
|
|
|
|
for (auto c : str) {
|
|
if (isalnum(c) || (c == '_')) continue;
|
|
return false;
|
|
}
|
|
return true;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
strip off leading part of path, return just the filename
|
|
------------------------------------------------------------------------- */
|
|
|
|
std::string utils::path_basename(const std::string &path)
|
|
{
|
|
#if defined(_WIN32)
|
|
size_t start = path.find_last_of("/\\");
|
|
#else
|
|
size_t start = path.find_last_of("/");
|
|
#endif
|
|
|
|
if (start == std::string::npos) {
|
|
start = 0;
|
|
} else {
|
|
start += 1;
|
|
}
|
|
|
|
return path.substr(start);
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
Return only the leading part of a path, return just the directory
|
|
------------------------------------------------------------------------- */
|
|
|
|
std::string utils::path_dirname(const std::string &path)
|
|
{
|
|
#if defined(_WIN32)
|
|
size_t start = path.find_last_of("/\\");
|
|
#else
|
|
size_t start = path.find_last_of("/");
|
|
#endif
|
|
|
|
if (start == std::string::npos) return ".";
|
|
|
|
return path.substr(0, start);
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
join two paths
|
|
------------------------------------------------------------------------- */
|
|
|
|
std::string utils::path_join(const std::string &a, const std::string &b)
|
|
{
|
|
#if defined(_WIN32)
|
|
return fmt::format("{}\\{}", a, b);
|
|
#else
|
|
return fmt::format("{}/{}", a, b);
|
|
#endif
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
try to open file for reading
|
|
------------------------------------------------------------------------- */
|
|
|
|
bool utils::file_is_readable(const std::string &path)
|
|
{
|
|
FILE *fp = fopen(path.c_str(), "r");
|
|
if (fp) {
|
|
fclose(fp);
|
|
return true;
|
|
}
|
|
return false;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
try to find potential file as specified by name
|
|
search current directory and the LAMMPS_POTENTIALS directory if
|
|
specified
|
|
------------------------------------------------------------------------- */
|
|
|
|
std::string utils::get_potential_file_path(const std::string &path)
|
|
{
|
|
std::string filepath = path;
|
|
std::string filename = utils::path_basename(path);
|
|
|
|
if (utils::file_is_readable(filepath)) {
|
|
return filepath;
|
|
} else {
|
|
// try the environment variable directory
|
|
const char *var = getenv("LAMMPS_POTENTIALS");
|
|
|
|
if (var != nullptr) {
|
|
#if defined(_WIN32)
|
|
Tokenizer dirs(var, ";");
|
|
#else
|
|
Tokenizer dirs(var, ":");
|
|
#endif
|
|
while (dirs.has_next()) {
|
|
auto pot = utils::path_basename(filepath);
|
|
auto dir = dirs.next();
|
|
filepath = utils::path_join(dir, pot);
|
|
|
|
if (utils::file_is_readable(filepath)) { return filepath; }
|
|
}
|
|
}
|
|
}
|
|
return "";
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
read first line of potential file
|
|
if it has a DATE field, return the following word
|
|
------------------------------------------------------------------------- */
|
|
|
|
std::string utils::get_potential_date(const std::string &path, const std::string &potential_name)
|
|
{
|
|
TextFileReader reader(path, potential_name);
|
|
reader.ignore_comments = false;
|
|
|
|
char *line = reader.next_line();
|
|
if (line == nullptr) return "";
|
|
Tokenizer words(line);
|
|
while (words.has_next()) {
|
|
if (words.next() == "DATE:") {
|
|
if (words.has_next()) return words.next();
|
|
}
|
|
}
|
|
return "";
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
read first line of potential file
|
|
if it has UNITS field, return following word
|
|
------------------------------------------------------------------------- */
|
|
|
|
std::string utils::get_potential_units(const std::string &path, const std::string &potential_name)
|
|
{
|
|
TextFileReader reader(path, potential_name);
|
|
reader.ignore_comments = false;
|
|
|
|
char *line = reader.next_line();
|
|
if (line == nullptr) return "";
|
|
Tokenizer words(line);
|
|
while (words.has_next()) {
|
|
if (words.next() == "UNITS:") {
|
|
if (words.has_next()) return words.next();
|
|
}
|
|
}
|
|
return "";
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
return bitmask of supported conversions for a given property
|
|
------------------------------------------------------------------------- */
|
|
int utils::get_supported_conversions(const int property)
|
|
{
|
|
if (property == ENERGY)
|
|
return METAL2REAL | REAL2METAL;
|
|
else
|
|
return NOCONVERT;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
return conversion factor for a given property and conversion setting
|
|
return 0.0 if unknown.
|
|
------------------------------------------------------------------------- */
|
|
|
|
double utils::get_conversion_factor(const int property, const int conversion)
|
|
{
|
|
if (property == ENERGY) {
|
|
if (conversion == NOCONVERT) {
|
|
return 1.0;
|
|
} else if (conversion == METAL2REAL) {
|
|
return 23.060549;
|
|
} else if (conversion == REAL2METAL) {
|
|
return 1.0 / 23.060549;
|
|
}
|
|
}
|
|
return 0.0;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
open a potential file as specified by name
|
|
if fails, search in dir specified by env variable LAMMPS_POTENTIALS
|
|
------------------------------------------------------------------------- */
|
|
|
|
FILE *utils::open_potential(const std::string &name, LAMMPS *lmp, int *auto_convert)
|
|
{
|
|
auto error = lmp->error;
|
|
auto me = lmp->comm->me;
|
|
|
|
std::string filepath = get_potential_file_path(name);
|
|
|
|
if (!filepath.empty()) {
|
|
std::string unit_style = lmp->update->unit_style;
|
|
std::string date = get_potential_date(filepath, "potential");
|
|
std::string units = get_potential_units(filepath, "potential");
|
|
|
|
if (!date.empty() && (me == 0))
|
|
logmesg(lmp, "Reading potential file {} with DATE: {}\n", name, date);
|
|
|
|
if (auto_convert == nullptr) {
|
|
if (!units.empty() && (units != unit_style) && (me == 0)) {
|
|
error->one(FLERR, "Potential file {} requires {} units but {} units are in use", name,
|
|
units, unit_style);
|
|
return nullptr;
|
|
}
|
|
} else {
|
|
if (units.empty() || units == unit_style) {
|
|
*auto_convert = NOCONVERT;
|
|
} else {
|
|
if ((units == "metal") && (unit_style == "real") && (*auto_convert & METAL2REAL)) {
|
|
*auto_convert = METAL2REAL;
|
|
} else if ((units == "real") && (unit_style == "metal") && (*auto_convert & REAL2METAL)) {
|
|
*auto_convert = REAL2METAL;
|
|
} else {
|
|
error->one(FLERR, "Potential file {} requires {} units but {} units are in use", name,
|
|
units, unit_style);
|
|
return nullptr;
|
|
}
|
|
}
|
|
if ((*auto_convert != NOCONVERT) && (me == 0))
|
|
error->warning(FLERR, "Converting potential file in {} units to {} units", units,
|
|
unit_style);
|
|
}
|
|
return fopen(filepath.c_str(), "r");
|
|
}
|
|
return nullptr;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
convert a timespec ([[HH:]MM:]SS) to seconds
|
|
the strings "off" and "unlimited" result in -1.0;
|
|
------------------------------------------------------------------------- */
|
|
|
|
double utils::timespec2seconds(const std::string ×pec)
|
|
{
|
|
double vals[3];
|
|
int i = 0;
|
|
|
|
// first handle allowed textual inputs
|
|
if (timespec == "off") return -1.0;
|
|
if (timespec == "unlimited") return -1.0;
|
|
|
|
vals[0] = vals[1] = vals[2] = 0;
|
|
|
|
ValueTokenizer values(timespec, ":");
|
|
|
|
try {
|
|
for (i = 0; i < 3; i++) {
|
|
if (!values.has_next()) break;
|
|
vals[i] = values.next_int();
|
|
}
|
|
} catch (TokenizerException &e) {
|
|
return -1.0;
|
|
}
|
|
|
|
if (i == 3)
|
|
return (vals[0] * 60 + vals[1]) * 60 + vals[2];
|
|
else if (i == 2)
|
|
return vals[0] * 60 + vals[1];
|
|
return vals[0];
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
convert a LAMMPS version date (1Jan01) to a number
|
|
------------------------------------------------------------------------- */
|
|
|
|
int utils::date2num(const std::string &date)
|
|
{
|
|
std::size_t found = date.find_first_not_of("0123456789 ");
|
|
int num = strtol(date.substr(0, found).c_str(), nullptr, 10);
|
|
auto month = date.substr(found);
|
|
found = month.find_first_of("0123456789 ");
|
|
num += strtol(month.substr(found).c_str(), nullptr, 10) * 10000;
|
|
if (num < 1000000) num += 20000000;
|
|
|
|
if (strmatch(month, "^Jan"))
|
|
num += 100;
|
|
else if (strmatch(month, "^Feb"))
|
|
num += 200;
|
|
else if (strmatch(month, "^Mar"))
|
|
num += 300;
|
|
else if (strmatch(month, "^Apr"))
|
|
num += 400;
|
|
else if (strmatch(month, "^May"))
|
|
num += 500;
|
|
else if (strmatch(month, "^Jun"))
|
|
num += 600;
|
|
else if (strmatch(month, "^Jul"))
|
|
num += 700;
|
|
else if (strmatch(month, "^Aug"))
|
|
num += 800;
|
|
else if (strmatch(month, "^Sep"))
|
|
num += 900;
|
|
else if (strmatch(month, "^Oct"))
|
|
num += 1000;
|
|
else if (strmatch(month, "^Nov"))
|
|
num += 1100;
|
|
else if (strmatch(month, "^Dec"))
|
|
num += 1200;
|
|
return num;
|
|
}
|
|
|
|
/* binary search in vector of ascending doubles */
|
|
int utils::binary_search(const double needle, const int n, const double *haystack)
|
|
{
|
|
int lo = 0;
|
|
int hi = n - 1;
|
|
|
|
if (needle < haystack[lo]) return lo;
|
|
if (needle >= haystack[hi]) return hi;
|
|
|
|
// insure haystack[lo] <= needle < haystack[hi] at every iteration
|
|
// done when lo,hi are adjacent
|
|
|
|
int index = (lo + hi) / 2;
|
|
while (lo < hi - 1) {
|
|
if (needle < haystack[index])
|
|
hi = index;
|
|
else if (needle >= haystack[index])
|
|
lo = index;
|
|
index = (lo + hi) / 2;
|
|
}
|
|
|
|
return index;
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
* Merge sort part 1: Loop over sublists doubling in size with each iteration.
|
|
* Pre-sort small sublists with insertion sort for better overall performance.
|
|
------------------------------------------------------------------------- */
|
|
|
|
void utils::merge_sort(int *index, int num, void *ptr, int (*comp)(int, int, void *))
|
|
{
|
|
if (num < 2) return;
|
|
|
|
int chunk, i, j;
|
|
|
|
// do insertion sort on chunks of up to 64 elements
|
|
|
|
chunk = 64;
|
|
for (i = 0; i < num; i += chunk) {
|
|
j = (i + chunk > num) ? num - i : chunk;
|
|
insertion_sort(index + i, j, ptr, comp);
|
|
}
|
|
|
|
// already done?
|
|
|
|
if (chunk >= num) return;
|
|
|
|
// continue with merge sort on the pre-sorted chunks.
|
|
// we need an extra buffer for temporary storage and two
|
|
// pointers to operate on, so we can swap the pointers
|
|
// rather than copying to the hold buffer in each pass
|
|
|
|
int *buf = new int[num];
|
|
int *dest = index;
|
|
int *hold = buf;
|
|
|
|
while (chunk < num) {
|
|
int m;
|
|
|
|
// swap hold and destination buffer
|
|
|
|
int *tmp = dest;
|
|
dest = hold;
|
|
hold = tmp;
|
|
|
|
// merge from hold array to destination array
|
|
|
|
for (i = 0; i < num - 1; i += 2 * chunk) {
|
|
j = i + 2 * chunk;
|
|
if (j > num) j = num;
|
|
m = i + chunk;
|
|
if (m > num) m = num;
|
|
do_merge(dest, hold, i, m, m, j, ptr, comp);
|
|
}
|
|
|
|
// copy all indices not handled by the chunked merge sort loop
|
|
|
|
for (; i < num; i++) dest[i] = hold[i];
|
|
chunk *= 2;
|
|
}
|
|
|
|
// if the final sorted data is in buf, copy back to index
|
|
|
|
if (dest == buf) memcpy(index, buf, sizeof(int) * num);
|
|
|
|
delete[] buf;
|
|
}
|
|
|
|
/* ------------------------------------------------------------------ */
|
|
|
|
/* ----------------------------------------------------------------------
|
|
* Merge sort part 2: Insertion sort for pre-sorting of small chunks
|
|
------------------------------------------------------------------------- */
|
|
|
|
void insertion_sort(int *index, int num, void *ptr, int (*comp)(int, int, void *))
|
|
{
|
|
if (num < 2) return;
|
|
for (int i = 1; i < num; ++i) {
|
|
int tmp = index[i];
|
|
for (int j = i - 1; j >= 0; --j) {
|
|
if ((*comp)(index[j], tmp, ptr) > 0) {
|
|
index[j + 1] = index[j];
|
|
} else {
|
|
index[j + 1] = tmp;
|
|
break;
|
|
}
|
|
if (j == 0) index[0] = tmp;
|
|
}
|
|
}
|
|
}
|
|
|
|
/* ----------------------------------------------------------------------
|
|
* Merge sort part 3: Merge two sublists
|
|
------------------------------------------------------------------------- */
|
|
|
|
static void do_merge(int *idx, int *buf, int llo, int lhi, int rlo, int rhi, void *ptr,
|
|
int (*comp)(int, int, void *))
|
|
{
|
|
int i = llo;
|
|
int l = llo;
|
|
int r = rlo;
|
|
while ((l < lhi) && (r < rhi)) {
|
|
if ((*comp)(buf[l], buf[r], ptr) < 0)
|
|
idx[i++] = buf[l++];
|
|
else
|
|
idx[i++] = buf[r++];
|
|
}
|
|
|
|
while (l < lhi) idx[i++] = buf[l++];
|
|
while (r < rhi) idx[i++] = buf[r++];
|
|
}
|
|
|
|
/* ------------------------------------------------------------------ */
|
|
|
|
extern "C" {
|
|
|
|
/* Typedef'd pointer to get abstract datatype. */
|
|
typedef struct regex_t *re_t;
|
|
typedef struct regex_context_t *re_ctx_t;
|
|
|
|
/* Compile regex string pattern to a regex_t-array. */
|
|
static re_t re_compile(re_ctx_t context, const char *pattern);
|
|
|
|
/* Find matches of the compiled pattern inside text. */
|
|
static int re_matchp(const char *text, re_t pattern, int *matchlen);
|
|
|
|
/* Definitions: */
|
|
|
|
#define MAX_REGEXP_OBJECTS 30 /* Max number of regex symbols in expression. */
|
|
#define MAX_CHAR_CLASS_LEN 40 /* Max length of character-class buffer in. */
|
|
|
|
enum {
|
|
RX_UNUSED,
|
|
RX_DOT,
|
|
RX_BEGIN,
|
|
RX_END,
|
|
RX_QUESTIONMARK,
|
|
RX_STAR,
|
|
RX_PLUS,
|
|
RX_CHAR,
|
|
RX_CHAR_CLASS,
|
|
RX_INV_CHAR_CLASS,
|
|
RX_DIGIT,
|
|
RX_NOT_DIGIT,
|
|
RX_INTEGER,
|
|
RX_NOT_INTEGER,
|
|
RX_FLOAT,
|
|
RX_NOT_FLOAT,
|
|
RX_ALPHA,
|
|
RX_NOT_ALPHA,
|
|
RX_WHITESPACE,
|
|
RX_NOT_WHITESPACE /*, BRANCH */
|
|
};
|
|
|
|
typedef struct regex_t {
|
|
unsigned char type; /* CHAR, STAR, etc. */
|
|
union {
|
|
unsigned char ch; /* the character itself */
|
|
unsigned char *ccl; /* OR a pointer to characters in class */
|
|
} u;
|
|
} regex_t;
|
|
|
|
typedef struct regex_context_t {
|
|
/* MAX_REGEXP_OBJECTS is the max number of symbols in the expression.
|
|
MAX_CHAR_CLASS_LEN determines the size of buffer for chars in all char-classes in the expression. */
|
|
regex_t re_compiled[MAX_REGEXP_OBJECTS];
|
|
unsigned char ccl_buf[MAX_CHAR_CLASS_LEN];
|
|
} regex_context_t;
|
|
|
|
int re_match(const char *text, const char *pattern)
|
|
{
|
|
regex_context_t context;
|
|
int dummy;
|
|
return re_matchp(text, re_compile(&context, pattern), &dummy);
|
|
}
|
|
|
|
int re_find(const char *text, const char *pattern, int *matchlen)
|
|
{
|
|
regex_context_t context;
|
|
return re_matchp(text, re_compile(&context, pattern), matchlen);
|
|
}
|
|
|
|
/* Private function declarations: */
|
|
static int matchpattern(regex_t *pattern, const char *text, int *matchlen);
|
|
static int matchcharclass(char c, const char *str);
|
|
static int matchstar(regex_t p, regex_t *pattern, const char *text, int *matchlen);
|
|
static int matchplus(regex_t p, regex_t *pattern, const char *text, int *matchlen);
|
|
static int matchone(regex_t p, char c);
|
|
static int matchdigit(char c);
|
|
static int matchint(char c);
|
|
static int matchfloat(char c);
|
|
static int matchalpha(char c);
|
|
static int matchwhitespace(char c);
|
|
static int matchmetachar(char c, const char *str);
|
|
static int matchrange(char c, const char *str);
|
|
static int matchdot(char c);
|
|
static int ismetachar(char c);
|
|
|
|
/* Semi-public functions: */
|
|
int re_matchp(const char *text, re_t pattern, int *matchlen)
|
|
{
|
|
*matchlen = 0;
|
|
if (pattern != 0) {
|
|
if (pattern[0].type == RX_BEGIN) {
|
|
return ((matchpattern(&pattern[1], text, matchlen)) ? 0 : -1);
|
|
} else {
|
|
int idx = -1;
|
|
|
|
do {
|
|
idx += 1;
|
|
|
|
if (matchpattern(pattern, text, matchlen)) {
|
|
if (text[0] == '\0') return -1;
|
|
|
|
return idx;
|
|
}
|
|
} while (*text++ != '\0');
|
|
}
|
|
}
|
|
return -1;
|
|
}
|
|
|
|
re_t re_compile(re_ctx_t context, const char *pattern)
|
|
{
|
|
regex_t *const re_compiled = context->re_compiled;
|
|
unsigned char *const ccl_buf = context->ccl_buf;
|
|
int ccl_bufidx = 1;
|
|
|
|
char c; /* current char in pattern */
|
|
int i = 0; /* index into pattern */
|
|
int j = 0; /* index into re_compiled */
|
|
|
|
while (pattern[i] != '\0' && (j + 1 < MAX_REGEXP_OBJECTS)) {
|
|
c = pattern[i];
|
|
|
|
switch (c) {
|
|
/* Meta-characters: */
|
|
case '^': {
|
|
re_compiled[j].type = RX_BEGIN;
|
|
} break;
|
|
case '$': {
|
|
re_compiled[j].type = RX_END;
|
|
} break;
|
|
case '.': {
|
|
re_compiled[j].type = RX_DOT;
|
|
} break;
|
|
case '*': {
|
|
re_compiled[j].type = RX_STAR;
|
|
} break;
|
|
case '+': {
|
|
re_compiled[j].type = RX_PLUS;
|
|
} break;
|
|
case '?': {
|
|
re_compiled[j].type = RX_QUESTIONMARK;
|
|
} break;
|
|
|
|
/* Escaped character-classes (\s \w ...): */
|
|
case '\\': {
|
|
if (pattern[i + 1] != '\0') {
|
|
/* Skip the escape-char '\\' */
|
|
i += 1;
|
|
/* ... and check the next */
|
|
switch (pattern[i]) {
|
|
/* Meta-character: */
|
|
case 'd': {
|
|
re_compiled[j].type = RX_DIGIT;
|
|
} break;
|
|
case 'D': {
|
|
re_compiled[j].type = RX_NOT_DIGIT;
|
|
} break;
|
|
case 'i': {
|
|
re_compiled[j].type = RX_INTEGER;
|
|
} break;
|
|
case 'I': {
|
|
re_compiled[j].type = RX_NOT_INTEGER;
|
|
} break;
|
|
case 'f': {
|
|
re_compiled[j].type = RX_FLOAT;
|
|
} break;
|
|
case 'F': {
|
|
re_compiled[j].type = RX_NOT_FLOAT;
|
|
} break;
|
|
case 'w': {
|
|
re_compiled[j].type = RX_ALPHA;
|
|
} break;
|
|
case 'W': {
|
|
re_compiled[j].type = RX_NOT_ALPHA;
|
|
} break;
|
|
case 's': {
|
|
re_compiled[j].type = RX_WHITESPACE;
|
|
} break;
|
|
case 'S': {
|
|
re_compiled[j].type = RX_NOT_WHITESPACE;
|
|
} break;
|
|
|
|
/* Escaped character, e.g. '.' or '$' */
|
|
default: {
|
|
re_compiled[j].type = RX_CHAR;
|
|
re_compiled[j].u.ch = pattern[i];
|
|
} break;
|
|
}
|
|
}
|
|
/* '\\' as last char in pattern -> invalid regular expression. */
|
|
} break;
|
|
|
|
/* Character class: */
|
|
case '[': {
|
|
/* Remember where the char-buffer starts. */
|
|
int buf_begin = ccl_bufidx;
|
|
|
|
/* Look-ahead to determine if negated */
|
|
if (pattern[i + 1] == '^') {
|
|
re_compiled[j].type = RX_INV_CHAR_CLASS;
|
|
i += 1; /* Increment i to avoid including '^' in the char-buffer */
|
|
if (pattern[i + 1] == 0) /* incomplete pattern, missing non-zero char after '^' */
|
|
{
|
|
return 0;
|
|
}
|
|
} else {
|
|
re_compiled[j].type = RX_CHAR_CLASS;
|
|
}
|
|
|
|
/* Copy characters inside [..] to buffer */
|
|
while ((pattern[++i] != ']') && (pattern[i] != '\0')) {
|
|
/* Missing ] */
|
|
if (pattern[i] == '\\') {
|
|
if (ccl_bufidx >= MAX_CHAR_CLASS_LEN - 1) { return 0; }
|
|
if (pattern[i + 1] == 0) /* incomplete pattern, missing non-zero char after '\\' */
|
|
{
|
|
return 0;
|
|
}
|
|
ccl_buf[ccl_bufidx++] = pattern[i++];
|
|
} else if (ccl_bufidx >= MAX_CHAR_CLASS_LEN) {
|
|
return 0;
|
|
}
|
|
ccl_buf[ccl_bufidx++] = pattern[i];
|
|
}
|
|
if (ccl_bufidx >= MAX_CHAR_CLASS_LEN) {
|
|
/* Catches cases such as [00000000000000000000000000000000000000][ */
|
|
return 0;
|
|
}
|
|
/* Null-terminate string end */
|
|
ccl_buf[ccl_bufidx++] = 0;
|
|
re_compiled[j].u.ccl = &ccl_buf[buf_begin];
|
|
} break;
|
|
|
|
/* Other characters: */
|
|
default: {
|
|
re_compiled[j].type = RX_CHAR;
|
|
re_compiled[j].u.ch = c;
|
|
} break;
|
|
}
|
|
/* no buffer-out-of-bounds access on invalid patterns -
|
|
* see https://github.com/kokke/tiny-regex-c/commit/1a279e04014b70b0695fba559a7c05d55e6ee90b */
|
|
if (pattern[i] == 0) { return 0; }
|
|
|
|
i += 1;
|
|
j += 1;
|
|
}
|
|
/* 'RX_UNUSED' is a sentinel used to indicate end-of-pattern */
|
|
re_compiled[j].type = RX_UNUSED;
|
|
|
|
return (re_t) re_compiled;
|
|
}
|
|
|
|
/* Private functions: */
|
|
static int matchdigit(char c)
|
|
{
|
|
return ((c >= '0') && (c <= '9'));
|
|
}
|
|
|
|
static int matchint(char c)
|
|
{
|
|
return (matchdigit(c) || (c == '-') || (c == '+'));
|
|
}
|
|
|
|
static int matchfloat(char c)
|
|
{
|
|
return (matchint(c) || (c == '.') || (c == 'e') || (c == 'E'));
|
|
}
|
|
|
|
static int matchalpha(char c)
|
|
{
|
|
return ((c >= 'a') && (c <= 'z')) || ((c >= 'A') && (c <= 'Z'));
|
|
}
|
|
|
|
static int matchwhitespace(char c)
|
|
{
|
|
return ((c == ' ') || (c == '\t') || (c == '\n') || (c == '\r') || (c == '\f') || (c == '\v'));
|
|
}
|
|
|
|
static int matchalphanum(char c)
|
|
{
|
|
return ((c == '_') || matchalpha(c) || matchdigit(c));
|
|
}
|
|
|
|
static int matchrange(char c, const char *str)
|
|
{
|
|
return ((c != '-') && (str[0] != '\0') && (str[0] != '-') && (str[1] == '-') &&
|
|
(str[1] != '\0') && (str[2] != '\0') && ((c >= str[0]) && (c <= str[2])));
|
|
}
|
|
|
|
static int matchdot(char c)
|
|
{
|
|
#if defined(RE_DOT_MATCHES_NEWLINE) && (RE_DOT_MATCHES_NEWLINE == 1)
|
|
(void) c;
|
|
return 1;
|
|
#else
|
|
return c != '\n' && c != '\r';
|
|
#endif
|
|
}
|
|
|
|
static int ismetachar(char c)
|
|
{
|
|
return ((c == 's') || (c == 'S') || (c == 'w') || (c == 'W') || (c == 'd') || (c == 'D'));
|
|
}
|
|
|
|
static int matchmetachar(char c, const char *str)
|
|
{
|
|
switch (str[0]) {
|
|
case 'd':
|
|
return matchdigit(c);
|
|
case 'D':
|
|
return !matchdigit(c);
|
|
case 'i':
|
|
return matchint(c);
|
|
case 'I':
|
|
return !matchint(c);
|
|
case 'f':
|
|
return matchfloat(c);
|
|
case 'F':
|
|
return !matchfloat(c);
|
|
case 'w':
|
|
return matchalphanum(c);
|
|
case 'W':
|
|
return !matchalphanum(c);
|
|
case 's':
|
|
return matchwhitespace(c);
|
|
case 'S':
|
|
return !matchwhitespace(c);
|
|
default:
|
|
return (c == str[0]);
|
|
}
|
|
}
|
|
|
|
static int matchcharclass(char c, const char *str)
|
|
{
|
|
do {
|
|
if (matchrange(c, str)) {
|
|
return 1;
|
|
} else if (str[0] == '\\') {
|
|
/* Escape-char: increment str-ptr and match on next char */
|
|
str += 1;
|
|
if (matchmetachar(c, str)) {
|
|
return 1;
|
|
} else if ((c == str[0]) && !ismetachar(c)) {
|
|
return 1;
|
|
}
|
|
} else if (c == str[0]) {
|
|
if (c == '-') {
|
|
return ((str[-1] == '\0') || (str[1] == '\0'));
|
|
} else {
|
|
return 1;
|
|
}
|
|
}
|
|
} while (*str++ != '\0');
|
|
|
|
return 0;
|
|
}
|
|
|
|
static int matchone(regex_t p, char c)
|
|
{
|
|
switch (p.type) {
|
|
case RX_DOT:
|
|
return matchdot(c);
|
|
case RX_CHAR_CLASS:
|
|
return matchcharclass(c, (const char *) p.u.ccl);
|
|
case RX_INV_CHAR_CLASS:
|
|
return !matchcharclass(c, (const char *) p.u.ccl);
|
|
case RX_DIGIT:
|
|
return matchdigit(c);
|
|
case RX_NOT_DIGIT:
|
|
return !matchdigit(c);
|
|
case RX_INTEGER:
|
|
return matchint(c);
|
|
case RX_NOT_INTEGER:
|
|
return !matchint(c);
|
|
case RX_FLOAT:
|
|
return matchfloat(c);
|
|
case RX_NOT_FLOAT:
|
|
return !matchfloat(c);
|
|
case RX_ALPHA:
|
|
return matchalphanum(c);
|
|
case RX_NOT_ALPHA:
|
|
return !matchalphanum(c);
|
|
case RX_WHITESPACE:
|
|
return matchwhitespace(c);
|
|
case RX_NOT_WHITESPACE:
|
|
return !matchwhitespace(c);
|
|
default:
|
|
return (p.u.ch == c);
|
|
}
|
|
}
|
|
|
|
static int matchstar(regex_t p, regex_t *pattern, const char *text, int *matchlen)
|
|
{
|
|
int prelen = *matchlen;
|
|
const char *prepos = text;
|
|
while ((text[0] != '\0') && matchone(p, *text)) {
|
|
text++;
|
|
(*matchlen)++;
|
|
}
|
|
while (text >= prepos) {
|
|
if (matchpattern(pattern, text--, matchlen)) return 1;
|
|
(*matchlen)--;
|
|
}
|
|
|
|
*matchlen = prelen;
|
|
return 0;
|
|
}
|
|
|
|
static int matchplus(regex_t p, regex_t *pattern, const char *text, int *matchlen)
|
|
{
|
|
const char *prepos = text;
|
|
while ((text[0] != '\0') && matchone(p, *text)) {
|
|
text++;
|
|
(*matchlen)++;
|
|
}
|
|
while (text > prepos) {
|
|
if (matchpattern(pattern, text--, matchlen)) return 1;
|
|
(*matchlen)--;
|
|
}
|
|
return 0;
|
|
}
|
|
|
|
static int matchquestion(regex_t p, regex_t *pattern, const char *text, int *matchlen)
|
|
{
|
|
if (p.type == RX_UNUSED) return 1;
|
|
if (matchpattern(pattern, text, matchlen)) return 1;
|
|
if (*text && matchone(p, *text++)) {
|
|
if (matchpattern(pattern, text, matchlen)) {
|
|
(*matchlen)++;
|
|
return 1;
|
|
}
|
|
}
|
|
return 0;
|
|
}
|
|
|
|
/* Iterative matching */
|
|
static int matchpattern(regex_t *pattern, const char *text, int *matchlen)
|
|
{
|
|
int pre = *matchlen;
|
|
do {
|
|
if ((pattern[0].type == RX_UNUSED) || (pattern[1].type == RX_QUESTIONMARK)) {
|
|
return matchquestion(pattern[0], &pattern[2], text, matchlen);
|
|
} else if (pattern[1].type == RX_STAR) {
|
|
return matchstar(pattern[0], &pattern[2], text, matchlen);
|
|
} else if (pattern[1].type == RX_PLUS) {
|
|
return matchplus(pattern[0], &pattern[2], text, matchlen);
|
|
} else if ((pattern[0].type == RX_END) && pattern[1].type == RX_UNUSED) {
|
|
return (text[0] == '\0');
|
|
}
|
|
(*matchlen)++;
|
|
} while ((text[0] != '\0') && matchone(*pattern++, *text++));
|
|
|
|
*matchlen = pre;
|
|
return 0;
|
|
}
|
|
}
|