ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Update Colvars to version 2021-08-03

Browse Source
This commit is contained in:
Giacomo Fiorin
2021-08-03 18:03:09 -04:00
parent 50e8d7c36b
commit 2a9be42758
48 changed files with 2557 additions and 527 deletions
Download Patch File Download Diff File Expand all files Collapse all files

24
lib/colvars/colvarparse.cpp
View File

@ -125,6 +125,10 @@ void colvarparse::mark_key_set_user(std::string const &key_str,
cvm::log("# "+key_str+" = "+cvm::to_str(value)+"\n",
cvm::log_user_params());
}
if (parse_mode & parse_deprecation_warning) {
cvm::log("Warning: keyword "+key_str+
" is deprecated. Check the documentation for the current equivalent.\n");
}
}
@ -919,6 +923,26 @@ int colvarparse::check_braces(std::string const &conf,
return (brace_count != 0) ? INPUT_ERROR : COLVARS_OK;
}
int colvarparse::check_ascii(std::string const &conf)
{
// Check for non-ASCII characters
std::string line;
std::istringstream is(conf);
while (cvm::getline(is, line)) {
unsigned char const * const uchars =
reinterpret_cast<unsigned char const *>(line.c_str());
for (size_t i = 0; i < line.size(); i++) {
if (uchars[i] & 0x80U) {
cvm::log("Warning: non-ASCII character detected in this line: \""+
line+"\".\n");
}
}
}
return COLVARS_OK;
}
void colvarparse::split_string(const std::string& data, const std::string& delim, std::vector<std::string>& dest) {
size_t index = 0, new_index = 0;
std::string tmpstr;