netcdf: deduplicate gettings units as strings

src/NETCDF/dump_netcdf_mpiio.cpp

@@ -19,6 +19,7 @@
 #if defined(LMP_HAS_PNETCDF)
 
 #include "dump_netcdf_mpiio.h"
+#include "netcdf_units.h"
 
 #include "atom.h"
 #include "comm.h"
@@ -102,7 +103,7 @@ DumpNetCDFMPIIO::DumpNetCDFMPIIO(LAMMPS *lmp, int narg, char **arg) :
     int ndims = 1;
     std::string mangled = earg[i];
     bool constant = false;
-    Quantity quantity = Quantity::Unknown;
+    Quantity quantity = Quantity::UNKNOWN;
 
     // name mangling
     // in the AMBER specification
@@ -110,12 +111,12 @@ DumpNetCDFMPIIO::DumpNetCDFMPIIO(LAMMPS *lmp, int narg, char **arg) :
       idim = mangled[0] - 'x';
       ndims = 3;
       mangled = "coordinates";
-      quantity = Quantity::Distance;
+      quantity = Quantity::DISTANCE;
     } else if ((mangled == "vx") || (mangled == "vy") || (mangled == "vz")) {
       idim = mangled[1] - 'x';
       ndims = 3;
       mangled = "velocities";
-      quantity = Quantity::Velocity;
+      quantity = Quantity::VELOCITY;
     } else if ((mangled == "xs") || (mangled == "ys") || (mangled == "zs")) {
       idim = mangled[0] - 'x';
       ndims = 3;
@@ -125,17 +126,17 @@ DumpNetCDFMPIIO::DumpNetCDFMPIIO(LAMMPS *lmp, int narg, char **arg) :
       idim = mangled[0] - 'x';
       ndims = 3;
       mangled = "unwrapped_coordinates";
-      quantity = Quantity::Distance;
+      quantity = Quantity::DISTANCE;
     } else if ((mangled == "fx") || (mangled == "fy") || (mangled == "fz")) {
       idim = mangled[1] - 'x';
       ndims = 3;
       mangled = "forces";
-      quantity = Quantity::Force;
+      quantity = Quantity::FORCE;
     } else if ((mangled == "mux") || (mangled == "muy") || (mangled == "muz")) {
       idim = mangled[2] - 'x';
       ndims = 3;
       mangled = "mu";
-      quantity = Quantity::DipoleMoment;
+      quantity = Quantity::DIPOLE_MOMENT;
     } else if (utils::strmatch(mangled, "^c_")) {
       std::size_t found = mangled.find('[');
       if (found != std::string::npos) {
@@ -423,7 +424,7 @@ void DumpNetCDFMPIIO::openfile()
         NCERRX( ncmpi_def_var(ncid, perat[i].name, xtype, 3, dims, &perat[i].var), perat[i].name );
       }
 
-      std::string unit = this->unit_of(perat[i].quantity);
+      std::string unit = get_unit_for(update->unit_style, perat[i].quantity, error);
       if (!unit.empty()) {
         NCERR( ncmpi_put_att_text(ncid, perat[i].var, NC_UNITS_STR, unit.size(), unit.c_str()) );
       }
@@ -455,10 +456,10 @@ void DumpNetCDFMPIIO::openfile()
     NCERR( ncmpi_put_att_text(ncid, NC_GLOBAL, "programVersion", strlen(lmp->version), lmp->version) );
 
     // units & scale
-    std::string unit = this->unit_of(Quantity::Time);
+    std::string unit = get_unit_for(update->unit_style, Quantity::TIME, error);
     NCERR( ncmpi_put_att_text(ncid, time_var, NC_UNITS_STR, unit.size(), unit.c_str()) );
 
-    unit = this->unit_of(Quantity::Distance);
+    unit = get_unit_for(update->unit_style, Quantity::DISTANCE, error);
     NCERR( ncmpi_put_att_text(ncid, cell_origin_var, NC_UNITS_STR, unit.size(), unit.c_str()) );
     NCERR( ncmpi_put_att_text(ncid, cell_lengths_var, NC_UNITS_STR, unit.size(), unit.c_str()) );
 
@@ -888,84 +889,4 @@ void DumpNetCDFMPIIO::ncerr(int err, const char *descr, int line)
   }
 }
 
-/* ---------------------------------------------------------------------- */
-
-std::string DumpNetCDF::unit_of(Quantity quantity) {
-  if (quantity == Quantity::Unknown) {
-    return "";
-  }
-
-  if (!strcmp(update->unit_style, "lj")) {
-    return "lj";
-  } else if (!strcmp(update->unit_style, "real")) {
-    switch (quantity) {
-    case Quantity::Time:
-      return "femtosecond";
-    case Quantity::Distance:
-      return "Angstrom";
-    case Quantity::Velocity:
-      return "Angstrom/femtosecond";
-    case Quantity::Force:
-      return "(Kcal/mol)/Angstrom)";
-    case Quantity::DipoleMoment:
-      return "e * Angstrom";
-    }
-  } else if (!strcmp(update->unit_style, "metal")) {
-    switch (quantity) {
-    case Quantity::Time:
-      return "picosecond";
-    case Quantity::Distance:
-      return "Angstrom";
-    case Quantity::Velocity:
-      return "Angstrom/picosecond";
-    case Quantity::Force:
-      return "eV/Angstrom";
-    case Quantity::DipoleMoment:
-      return "e * Angstrom";
-    }
-  } else if (!strcmp(update->unit_style, "si")) {
-    switch (quantity) {
-    case Quantity::Time:
-      return "second";
-    case Quantity::Distance:
-      return "meter";
-    case Quantity::Velocity:
-      return "meter/second";
-    case Quantity::Force:
-      return "Newton";
-    case Quantity::DipoleMoment:
-      return "Coulomb * meter";
-    }
-  } else if (!strcmp(update->unit_style, "cgs")) {
-    switch (quantity) {
-    case Quantity::Time:
-      return "second";
-    case Quantity::Distance:
-      return "centimeter";
-    case Quantity::Velocity:
-      return "centimeter/second";
-    case Quantity::Force:
-      return "dynes";
-    case Quantity::DipoleMoment:
-      return "statcoul * cm";
-    }
-  } else if (!strcmp(update->unit_style, "electron")) {
-    switch (quantity) {
-    case Quantity::Time:
-      return "second";
-    case Quantity::Distance:
-      return "centimeter";
-    case Quantity::Velocity:
-      return "centimeter/second";
-    case Quantity::Force:
-      return "Hartrees/Bohr";
-    case Quantity::DipoleMoment:
-      return "Debye";
-    }
-  }
-
-  error->all(FLERR, "Unsupported unit style: {}", update->unit_style);
-  return "";
-}
-
 #endif /* defined(LMP_HAS_PNETCDF) */