refactor expand_types to return int

src/MC/fix_mol_swap.cpp

@@ -58,12 +58,8 @@ FixMolSwap::FixMolSwap(LAMMPS *lmp, int narg, char **arg) :
 
   nevery = utils::inumeric(FLERR, arg[3], false, lmp);
   ncycles = utils::inumeric(FLERR, arg[4], false, lmp);
-  char *typestr = utils::expand_type(FLERR, arg[5], Atom::ATOM, lmp);
+  itype = utils::expand_type_int(FLERR, arg[5], Atom::ATOM, lmp);
-  itype = utils::inumeric(FLERR, typestr?typestr:arg[5], false, lmp);
+  jtype = utils::expand_type_int(FLERR, arg[6], Atom::ATOM, lmp);
-  delete[] typestr;
-  typestr = utils::expand_type(FLERR, arg[6], Atom::ATOM, lmp);
-  jtype = utils::inumeric(FLERR, typestr?typestr:arg[6], false, lmp);
-  delete[] typestr;
   seed = utils::inumeric(FLERR,arg[7],false,lmp);
   double temperature = utils::numeric(FLERR,arg[8],false,lmp);
 

src/create_atoms.cpp

@@ -89,9 +89,7 @@ void CreateAtoms::command(int narg, char **arg)
   // parse arguments
 
   if (narg < 2) utils::missing_cmd_args(FLERR, "create_atoms", error);
-  char *typestr = utils::expand_type(FLERR, arg[0], Atom::ATOM, lmp);
+  ntype = utils::expand_type_int(FLERR, arg[0], Atom::ATOM, lmp);
-  ntype = utils::inumeric(FLERR, typestr?typestr:arg[0], false, lmp);
-  delete[] typestr;
 
   const char *meshfile;
   int iarg;
@@ -165,9 +163,7 @@ void CreateAtoms::command(int narg, char **arg)
     if (strcmp(arg[iarg], "basis") == 0) {
       if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "create_atoms basis", error);
       int ibasis = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
-      char *typestr = utils::expand_type(FLERR, arg[iarg + 2], Atom::ATOM, lmp);
+      int itype = utils::expand_type_int(FLERR, arg[iarg + 2], Atom::ATOM, lmp);
-      int itype = utils::inumeric(FLERR, typestr?typestr:arg[iarg + 2], false, lmp);
-      delete[] typestr;
       if (ibasis <= 0 || ibasis > nbasis || itype <= 0 || itype > atom->ntypes)
         error->all(FLERR, "Out of range basis setting '{} {}' in create_atoms command", ibasis,
                    itype);

src/fix_deposit.cpp

@@ -60,9 +60,7 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
   // required args
 
   ninsert = utils::inumeric(FLERR, arg[3], false, lmp);
-  char *typestr = utils::expand_type(FLERR, arg[4], Atom::ATOM, lmp);
+  ntype = utils::expand_type_int(FLERR, arg[4], Atom::ATOM, lmp);
-  ntype = utils::inumeric(FLERR, typestr?typestr:arg[4], false, lmp);
-  delete[] typestr;
   nfreq = utils::inumeric(FLERR, arg[5], false, lmp);
   seed = utils::inumeric(FLERR, arg[6], false, lmp);
 

src/utils.cpp

@@ -915,6 +915,20 @@ char *utils::expand_type(const char *file, int line, const std::string &str, int
     return nullptr;
 }
 
+/* -------------------------------------------------------------------------
+   Expand type string to integer-valued numeric type from labelmap.
+   Not guaranteed to return a valid type.
+   For example, type <= 0 or type > Ntypes is checked in calling routine.
+------------------------------------------------------------------------- */
+
+int utils::expand_type_int(const char *file, int line, const std::string &str, int mode, LAMMPS *lmp)
+{
+  char *typestr = expand_type(file, line, str, mode, lmp);
+  int out = inumeric(FLERR, typestr?typestr:str, false, lmp);
+  delete[] typestr;
+  return out;
+}
+
 /* ----------------------------------------------------------------------
    Check grid reference for valid Compute or Fix which produces per-grid data
    errstr = name of calling command used if error is generated

src/utils.h

@@ -379,6 +379,12 @@ namespace utils {
 
   char *expand_type(const char *file, int line, const std::string &str, int mode, LAMMPS *lmp);
 
+  /*! Expand type label string into its equivalent integer-valued numeric type
+   *
+   *  This function has the same arguments as expand_type() but returns an integer value */
+
+  int expand_type_int(const char *file, int line, const std::string &str, int mode, LAMMPS *lmp);
+
   /*! Check grid reference for valid Compute or Fix which produces per-grid data
    *
    *  This function checks if a command argument in the input script