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Update Colvars library to version 2024-06-04

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This commit is contained in:
Giacomo Fiorin
2024-08-06 01:07:43 +02:00
parent 278accd9ea
commit 133dee9ac1
74 changed files with 7343 additions and 4676 deletions
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22
lib/colvars/colvarscript.cpp
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@ -7,8 +7,6 @@
// If you wish to distribute your changes, please submit them to the
// Colvars repository at GitHub.
#include <cstdlib>
#include <cstring>
#include <sstream>
#include "colvarproxy.h"
@ -35,6 +33,7 @@ colvarscript::colvarscript(colvarproxy *p, colvarmodule *m)
: proxy_(p),
colvars(m)
{
cmdline_main_cmd_ = std::string("cv");
cmd_names = NULL;
init_commands();
#ifdef COLVARS_TCL
@ -141,7 +140,7 @@ int colvarscript::init_command(colvarscript::command const &comm,
}
cmd_full_help[comm] = cmd_help[comm]+"\n";
if (cmd_n_args_min[comm] > 0) {
if (cmd_n_args_max[comm] > 0) {
cmd_full_help[comm] += "\nParameters\n";
cmd_full_help[comm] += "----------\n\n";
size_t i;
@ -281,11 +280,15 @@ std::string colvarscript::get_command_cmdline_syntax(colvarscript::Object_type t
switch (t) {
case use_module:
return std::string("cv "+cmdline_cmd+cmdline_args); break;
return std::string(cmdline_main_cmd_ + " " + cmdline_cmd + cmdline_args);
break;
case use_colvar:
return std::string("cv colvar name "+cmdline_cmd+cmdline_args); break;
return std::string(cmdline_main_cmd_ + " colvar name " + cmdline_cmd+
cmdline_args);
break;
case use_bias:
return std::string("cv bias name "+cmdline_cmd+cmdline_args); break;
return std::string(cmdline_main_cmd_ + " bias name " + cmdline_cmd+cmdline_args);
break;
default:
// Already handled, but silence the warning
return std::string("");
@ -353,7 +356,7 @@ int colvarscript::run(int objc, unsigned char *const objv[])
}
if (objc < 2) {
set_result_str("No commands given: use \"cv help\" "
set_result_str("No commands given: use \""+cmdline_main_cmd_+" help\" "
"for a list of commands.");
return COLVARSCRIPT_ERROR;
}
@ -436,7 +439,8 @@ int colvarscript::run(int objc, unsigned char *const objv[])
error_code = (*cmd_fn)(obj_for_cmd, objc, objv);
} else {
add_error_msg("Syntax error: "+cmdline+"\n"
" Run \"cv help\" or \"cv help <command>\" "
" Run \""+main_cmd+" help\" or \""+
main_cmd+" help <command>\" "
"to get the correct syntax.\n");
error_code = COLVARSCRIPT_ERROR;
}
@ -763,7 +767,7 @@ extern "C" int tcl_run_colvarscript_command(ClientData /* clientData */,
int colvarscript::set_result_text_from_str(std::string const &x_str,
unsigned char *obj) {
if (obj) {
strcpy(reinterpret_cast<char *>(obj), x_str.c_str());
std::memcpy(reinterpret_cast<char *>(obj), x_str.c_str(), x_str.size());
} else {
set_result_str(x_str);
}