Refactor PotentialFileReader

src/text_file_reader.cpp

@@ -0,0 +1,117 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing authors: Richard Berger (Temple U)
+------------------------------------------------------------------------- */
+
+#include "lammps.h"
+#include "force.h"
+#include "error.h"
+#include "comm.h"
+#include "utils.h"
+#include "text_file_reader.h"
+#include "tokenizer.h"
+#include "fmt/format.h"
+
+#include <cstring>
+
+using namespace LAMMPS_NS;
+
+TextFileReader::TextFileReader(const std::string &filename, const std::string &filetype) 
+  : filename(filename), filetype(filetype)
+{
+  fp = fopen(filename.c_str(), "r");
+
+  if (fp == nullptr) {
+    throw FileReaderException(fmt::format("cannot open {} file {}", filetype, filename));
+  }
+}
+
+TextFileReader::~TextFileReader() {
+  fclose(fp);
+}
+
+void TextFileReader::skip_line() {
+  char *ptr = fgets(line, MAXLINE, fp);
+  if (ptr == nullptr) {
+    // EOF
+    throw EOFException(fmt::format("Missing line in {} file!", filetype));
+  }
+}
+
+char *TextFileReader::next_line(int nparams) {
+  // concatenate lines until have nparams words
+  int n = 0;
+  int nwords = 0;
+
+  char *ptr = fgets(line, MAXLINE, fp);
+
+  if (ptr == nullptr) {
+    // EOF
+    return nullptr;
+  }
+
+  // strip comment
+  if (ignore_comments && (ptr = strchr(line, '#'))) *ptr = '\0';
+
+  nwords = utils::count_words(line);
+
+  if (nwords > 0) {
+    n = strlen(line);
+  }
+
+  while(nwords == 0 || nwords < nparams) {
+    char *ptr = fgets(&line[n], MAXLINE - n, fp);
+
+    if (ptr == nullptr) {
+      // EOF
+      if (nwords > 0 && nwords < nparams) {
+        throw EOFException(fmt::format("Incorrect format in {} file! {}/{} parameters", filetype.c_str(), nwords, nparams));
+      }
+      return nullptr;
+    }
+
+
+    // strip comment
+    if (ignore_comments && (ptr = strchr(line, '#'))) *ptr = '\0';
+
+    nwords = utils::count_words(line);
+
+    // skip line if blank
+    if (nwords > 0) {
+      n = strlen(line);
+    }
+  }
+
+  return line;
+}
+
+void TextFileReader::next_dvector(int n, double * list) {
+  int i = 0;
+  while (i < n) {
+    char *ptr = fgets(line, MAXLINE, fp);
+
+    if (ptr == nullptr) {
+      // EOF
+      if (i < n) {
+        throw FileReaderException(fmt::format("Incorrect format in {} file! {}/{} values", filetype, i, n));
+      }
+    }
+
+    ValueTokenizer values(line);
+    while(values.has_next()) {
+      list[i++] = values.next_double();
+    }
+  }
+}