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use alternate implementation of numeric conversion functions

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these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
This commit is contained in:
Axel Kohlmeyer
2019-07-08 17:40:30 -04:00
parent b469ff6791
commit cfaa537296
36 changed files with 479 additions and 248 deletions
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29
src/atom_vec_sphere.cpp
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@ -25,6 +25,7 @@
#include "math_const.h"
#include "memory.h"
#include "error.h"
#include "utils.h"
using namespace LAMMPS_NS;
using namespace MathConst;
@ -965,15 +966,15 @@ void AtomVecSphere::data_atom(double *coord, imageint imagetmp, char **values)
if (nlocal == nmax) grow(0);
tag[nlocal] = ATOTAGINT(values[0]);
type[nlocal] = force->inumeric(FLERR,values[1]);
type[nlocal] = utils::inumeric(FLERR,values[1],true,lmp);
if (type[nlocal] <= 0 || type[nlocal] > atom->ntypes)
error->one(FLERR,"Invalid atom type in Atoms section of data file");
radius[nlocal] = 0.5 * force->numeric(FLERR,values[2]);
radius[nlocal] = 0.5 * utils::numeric(FLERR,values[2],true,lmp);
if (radius[nlocal] < 0.0)
error->one(FLERR,"Invalid radius in Atoms section of data file");
double density = force->numeric(FLERR,values[3]);
double density = utils::numeric(FLERR,values[3],true,lmp);
if (density <= 0.0)
error->one(FLERR,"Invalid density in Atoms section of data file");
@ -1006,11 +1007,11 @@ void AtomVecSphere::data_atom(double *coord, imageint imagetmp, char **values)
int AtomVecSphere::data_atom_hybrid(int nlocal, char **values)
{
radius[nlocal] = 0.5 * force->numeric(FLERR,values[0]);
radius[nlocal] = 0.5 * utils::numeric(FLERR,values[0],true,lmp);
if (radius[nlocal] < 0.0)
error->one(FLERR,"Invalid radius in Atoms section of data file");
double density = force->numeric(FLERR,values[1]);
double density = utils::numeric(FLERR,values[1],true,lmp);
if (density <= 0.0)
error->one(FLERR,"Invalid density in Atoms section of data file");
@ -1028,12 +1029,12 @@ int AtomVecSphere::data_atom_hybrid(int nlocal, char **values)
void AtomVecSphere::data_vel(int m, char **values)
{
v[m][0] = force->numeric(FLERR,values[0]);
v[m][1] = force->numeric(FLERR,values[1]);
v[m][2] = force->numeric(FLERR,values[2]);
omega[m][0] = force->numeric(FLERR,values[3]);
omega[m][1] = force->numeric(FLERR,values[4]);
omega[m][2] = force->numeric(FLERR,values[5]);
v[m][0] = utils::numeric(FLERR,values[0],true,lmp);
v[m][1] = utils::numeric(FLERR,values[1],true,lmp);
v[m][2] = utils::numeric(FLERR,values[2],true,lmp);
omega[m][0] = utils::numeric(FLERR,values[3],true,lmp);
omega[m][1] = utils::numeric(FLERR,values[4],true,lmp);
omega[m][2] = utils::numeric(FLERR,values[5],true,lmp);
}
/* ----------------------------------------------------------------------
@ -1042,9 +1043,9 @@ void AtomVecSphere::data_vel(int m, char **values)
int AtomVecSphere::data_vel_hybrid(int m, char **values)
{
omega[m][0] = force->numeric(FLERR,values[0]);
omega[m][1] = force->numeric(FLERR,values[1]);
omega[m][2] = force->numeric(FLERR,values[2]);
omega[m][0] = utils::numeric(FLERR,values[0],true,lmp);
omega[m][1] = utils::numeric(FLERR,values[1],true,lmp);
omega[m][2] = utils::numeric(FLERR,values[2],true,lmp);
return 3;
}