Add convenience functions to PotentialFileReader
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@ -51,6 +51,10 @@ PotentialFileReader::~PotentialFileReader() {
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delete reader;
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}
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void PotentialFileReader::ignore_comments(bool value) {
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reader->ignore_comments = value;
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}
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void PotentialFileReader::skip_line() {
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try {
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reader->skip_line();
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@ -76,6 +80,56 @@ void PotentialFileReader::next_dvector(int n, double * list) {
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}
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}
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double PotentialFileReader::next_double() {
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try {
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char * line = reader->next_line(1);
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return ValueTokenizer(line).next_double();
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} catch (FileReaderException & e) {
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error->one(FLERR, e.what());
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}
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return 0.0;
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}
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int PotentialFileReader::next_int() {
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try {
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char * line = reader->next_line(1);
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return ValueTokenizer(line).next_int();
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} catch (FileReaderException & e) {
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error->one(FLERR, e.what());
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}
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return 0;
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}
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tagint PotentialFileReader::next_tagint() {
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try {
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char * line = reader->next_line(1);
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return ValueTokenizer(line).next_tagint();
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} catch (FileReaderException & e) {
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error->one(FLERR, e.what());
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}
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return 0;
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}
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bigint PotentialFileReader::next_bigint() {
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try {
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char * line = reader->next_line(1);
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return ValueTokenizer(line).next_bigint();
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} catch (FileReaderException & e) {
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error->one(FLERR, e.what());
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}
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return 0;
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}
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std::string PotentialFileReader::next_string() {
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try {
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char * line = reader->next_line(1);
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return ValueTokenizer(line).next_string();
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} catch (FileReaderException & e) {
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error->one(FLERR, e.what());
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}
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return "";
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}
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/* ----------------------------------------------------------------------
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open a potential file as specified by name
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if fails, search in dir specified by env variable LAMMPS_POTENTIALS
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