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Refactor PotentialFileReader

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This commit is contained in:
Richard Berger
2020-06-02 15:11:30 -04:00
parent 24a0933e2a
commit d478ad2ccb
2 changed files with 8 additions and 7 deletions
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8
src/potential_file_reader.cpp
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@ -34,10 +34,10 @@ PotentialFileReader::PotentialFileReader(LAMMPS *lmp,
Pointers(lmp), Pointers(lmp),
reader(nullptr), reader(nullptr),
filename(filename), filename(filename),
potential_name(potential_name) filetype(potential_name + " potential")
{ {
if (comm->me != 0) { if (comm->me != 0) {
error->one(FLERR, "PotentialFileReader should only be called by proc 0!"); error->one(FLERR, "FileReader should only be called by proc 0!");
} }
try { try {
@ -112,7 +112,7 @@ TextFileReader * PotentialFileReader::open_potential(const std::string& path) {
utils::logmesg(lmp, fmt::format("Reading potential file {} with DATE: {}", filename, date)); utils::logmesg(lmp, fmt::format("Reading potential file {} with DATE: {}", filename, date));
} }
return new TextFileReader(filepath, potential_name + " potential"); return new TextFileReader(filepath, filetype);
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
@ -121,7 +121,7 @@ TextFileReader * PotentialFileReader::open_potential(const std::string& path) {
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
std::string PotentialFileReader::get_potential_date(const std::string & path) { std::string PotentialFileReader::get_potential_date(const std::string & path) {
TextFileReader reader(path, potential_name + " potential"); TextFileReader reader(path, filetype);
reader.ignore_comments = false; reader.ignore_comments = false;
char * line = nullptr; char * line = nullptr;

7
src/potential_file_reader.h
View File

@ -26,19 +26,20 @@
namespace LAMMPS_NS namespace LAMMPS_NS
{ {
class PotentialFileReader : protected Pointers { class PotentialFileReader : protected Pointers {
protected:
TextFileReader * reader; TextFileReader * reader;
std::string filename; std::string filename;
std::string potential_name; std::string filetype;
TextFileReader * open_potential(const std::string& path); TextFileReader * open_potential(const std::string& path);
std::string get_potential_date(const std::string & path); std::string get_potential_date(const std::string & path);
public: public:
PotentialFileReader(class LAMMPS *lmp, const std::string &filename, const std::string &potential_name); PotentialFileReader(class LAMMPS *lmp, const std::string &filename, const std::string &potential_name);
~PotentialFileReader(); virtual ~PotentialFileReader();
void skip_line(); void skip_line();
char * next_line(int nparams); char * next_line(int nparams = 0);
void next_dvector(int n, double * list); void next_dvector(int n, double * list);
}; };