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Move common potentials opening code to utils

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This commit is contained in:
Richard Berger
2020-06-04 17:18:28 -04:00
parent 7ab65c05da
commit 4a6d3bc0e0
6 changed files with 85 additions and 151 deletions
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63
src/potential_file_reader.cpp
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@ -142,66 +142,17 @@ std::string PotentialFileReader::next_string() {
return "";
}
/* ----------------------------------------------------------------------
open a potential file as specified by name
if fails, search in dir specified by env variable LAMMPS_POTENTIALS
------------------------------------------------------------------------- */
TextFileReader * PotentialFileReader::open_potential(const std::string& path) {
// attempt to open file directly
// if successful, return filename
std::string filepath = path;
std::string filename = utils::path_basename(path);
std::string filepath = utils::get_potential_file_path(path);
std::string date;
if(utils::file_is_readable(filepath)) {
date = get_potential_date(filepath);
} else {
// try the environment variable directory
const char *path = getenv("LAMMPS_POTENTIALS");
if(!filepath.empty()) {
date = utils::get_potential_date(filepath, filetype);
if (path != nullptr){
std::string pot = utils::path_basename(filepath);
filepath = utils::path_join(path, pot);
if (utils::file_is_readable(filepath)) {
date = get_potential_date(filepath);
} else {
return nullptr;
}
} else {
return nullptr;
if(!date.empty()) {
utils::logmesg(lmp, fmt::format("Reading potential file {} with DATE: {}", filename, date));
}
return new TextFileReader(filepath, filetype);
}
if(!date.empty()) {
utils::logmesg(lmp, fmt::format("Reading potential file {} with DATE: {}", filename, date));
}
return new TextFileReader(filepath, filetype);
}
/* ----------------------------------------------------------------------
read first line of potential file
if has DATE field, print following word
------------------------------------------------------------------------- */
std::string PotentialFileReader::get_potential_date(const std::string & path) {
TextFileReader reader(path, filetype);
reader.ignore_comments = false;
char * line = nullptr;
while (line = reader.next_line()) {
ValueTokenizer values(line);
while (values.has_next()) {
std::string word = values.next_string();
if (word == "DATE:") {
if (values.has_next()) {
std::string date = values.next_string();
return date;
}
}
}
}
return "";
return nullptr;
}