Add convenience functions to PotentialFileReader

src/potential_file_reader.cpp

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

src/potential_file_reader.h

@@ -38,9 +38,18 @@ namespace LAMMPS_NS
     PotentialFileReader(class LAMMPS *lmp, const std::string &filename, const std::string &potential_name);
     virtual ~PotentialFileReader();
 
+    void ignore_comments(bool value);
+
     void skip_line();
     char * next_line(int nparams = 0);
     void next_dvector(int n, double * list);
+
+    // convenience functions
+    double next_double();
+    int    next_int();
+    tagint next_tagint();
+    bigint next_bigint();
+    std::string next_string();
   };
 
 } // namespace LAMMPS_NS