Refactor PotentialFileReader (d478ad2c) · Commits · 郑智淋 / lammps

src/potential_file_reader.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -34,10 +34,10 @@ PotentialFileReader::PotentialFileReader(LAMMPS *lmp,
		Pointers(lmp),
		reader(nullptr),
		filename(filename),
		potential_name(potential_name)
		filetype(potential_name + " potential")
		{
		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 {
		@@ -112,7 +112,7 @@ TextFileReader * PotentialFileReader::open_potential(const std::string& path) {
		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) {
		TextFileReader reader(path, potential_name + " potential");
		TextFileReader reader(path, filetype);
		reader.ignore_comments = false;
		char * line = nullptr;

+4 −3

Original line number	Diff line number	Diff line
		@@ -26,19 +26,20 @@
		namespace LAMMPS_NS
		{
		class PotentialFileReader : protected Pointers {
		protected:
		TextFileReader * reader;
		std::string filename;
		std::string potential_name;
		std::string filetype;

		TextFileReader * open_potential(const std::string& path);
		std::string get_potential_date(const std::string & path);

		public:
		PotentialFileReader(class LAMMPS *lmp, const std::string &filename, const std::string &potential_name);
		~PotentialFileReader();
		virtual ~PotentialFileReader();

		void skip_line();
		char * next_line(int nparams);
		char * next_line(int nparams = 0);
		void next_dvector(int n, double * list);
		};