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continue adding ArgInfo support

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This commit is contained in:
Axel Kohlmeyer
2021-02-03 10:52:16 -05:00
parent c2c8c5e493
commit f745d5d7be
3 changed files with 61 additions and 86 deletions
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53
src/fix_vector.cpp
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@ -13,6 +13,7 @@
#include "fix_vector.h"
#include "arg_info.h"
#include "compute.h"
#include "error.h"
#include "input.h"
@ -26,7 +27,6 @@
using namespace LAMMPS_NS;
using namespace FixConst;
enum{COMPUTE,FIX,VARIABLE};
enum{ONE,RUNNING,WINDOW};
enum{SCALAR,VECTOR};
@ -50,27 +50,16 @@ FixVector::FixVector(LAMMPS *lmp, int narg, char **arg) :
nvalues = 0;
for (int iarg = 4; iarg < narg; iarg++) {
if (arg[iarg][0] == 'c') which[nvalues] = COMPUTE;
else if (arg[iarg][0] == 'f') which[nvalues] = FIX;
else if (arg[iarg][0] == 'v') which[nvalues] = VARIABLE;
else error->all(FLERR,"Illegal fix vector command");
ArgInfo argi(arg[iarg]);
int n = strlen(arg[iarg]);
char *suffix = new char[n];
strcpy(suffix,&arg[iarg][2]);
which[nvalues] = argi.get_type();
argindex[nvalues] = argi.get_index1();
ids[nvalues] = argi.copy_name();
char *ptr = strchr(suffix,'[');
if (ptr) {
if (suffix[strlen(suffix)-1] != ']')
error->all(FLERR,"Illegal fix vector command");
argindex[nvalues] = atoi(ptr+1);
*ptr = '\0';
} else argindex[nvalues] = 0;
n = strlen(suffix) + 1;
ids[nvalues] = new char[n];
strcpy(ids[nvalues],suffix);
delete [] suffix;
if ((argi.get_type() == ArgInfo::UNKNOWN)
|| (argi.get_type() == ArgInfo::NONE)
|| (argi.get_dim() > 1))
error->all(FLERR,"Illegal fix vector command");
nvalues++;
}
@ -79,7 +68,7 @@ FixVector::FixVector(LAMMPS *lmp, int narg, char **arg) :
// for fix inputs, check that fix frequency is acceptable
for (int i = 0; i < nvalues; i++) {
if (which[i] == COMPUTE) {
if (which[i] == ArgInfo::COMPUTE) {
int icompute = modify->find_compute(ids[i]);
if (icompute < 0)
error->all(FLERR,"Compute ID for fix vector does not exist");
@ -91,7 +80,7 @@ FixVector::FixVector(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,
"Fix vector compute vector is accessed out-of-range");
} else if (which[i] == FIX) {
} else if (which[i] == ArgInfo::FIX) {
int ifix = modify->find_fix(ids[i]);
if (ifix < 0)
error->all(FLERR,"Fix ID for fix vector does not exist");
@ -105,7 +94,7 @@ FixVector::FixVector(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,
"Fix for fix vector not computed at compatible time");
} else if (which[i] == VARIABLE) {
} else if (which[i] == ArgInfo::VARIABLE) {
int ivariable = input->variable->find(ids[i]);
if (ivariable < 0)
error->all(FLERR,"Variable name for fix vector does not exist");
@ -121,16 +110,16 @@ FixVector::FixVector(LAMMPS *lmp, int narg, char **arg) :
int value,finalvalue;
for (int i = 0; i < nvalues; i++) {
if (which[i] == COMPUTE) {
if (which[i] == ArgInfo::COMPUTE) {
Compute *compute = modify->compute[modify->find_compute(ids[i])];
if (argindex[0] == 0) value = compute->extscalar;
else if (compute->extvector >= 0) value = compute->extvector;
else value = compute->extlist[argindex[0]-1];
} else if (which[i] == FIX) {
} else if (which[i] == ArgInfo::FIX) {
Fix *fix = modify->fix[modify->find_fix(ids[i])];
if (argindex[i] == 0) value = fix->extvector;
else value = fix->extarray;
} else if (which[i] == VARIABLE) value = 0;
} else if (which[i] == ArgInfo::VARIABLE) value = 0;
if (i == 0) finalvalue = value;
else if (value != finalvalue)
error->all(FLERR,"Fix vector cannot set output array "
@ -201,19 +190,19 @@ void FixVector::init()
// set current indices for all computes,fixes,variables
for (int i = 0; i < nvalues; i++) {
if (which[i] == COMPUTE) {
if (which[i] == ArgInfo::COMPUTE) {
int icompute = modify->find_compute(ids[i]);
if (icompute < 0)
error->all(FLERR,"Compute ID for fix vector does not exist");
value2index[i] = icompute;
} else if (which[i] == FIX) {
} else if (which[i] == ArgInfo::FIX) {
int ifix = modify->find_fix(ids[i]);
if (ifix < 0)
error->all(FLERR,"Fix ID for fix vector does not exist");
value2index[i] = ifix;
} else if (which[i] == VARIABLE) {
} else if (which[i] == ArgInfo::VARIABLE) {
int ivariable = input->variable->find(ids[i]);
if (ivariable < 0)
error->all(FLERR,"Variable name for fix vector does not exist");
@ -265,7 +254,7 @@ void FixVector::end_of_step()
// invoke compute if not previously invoked
if (which[i] == COMPUTE) {
if (which[i] == ArgInfo::COMPUTE) {
Compute *compute = modify->compute[m];
if (argindex[i] == 0) {
@ -284,7 +273,7 @@ void FixVector::end_of_step()
// access fix fields, guaranteed to be ready
} else if (which[i] == FIX) {
} else if (which[i] == ArgInfo::FIX) {
if (argindex[i] == 0)
result[i] = modify->fix[m]->compute_scalar();
else
@ -292,7 +281,7 @@ void FixVector::end_of_step()
// evaluate equal-style or vector-style variable
} else if (which[i] == VARIABLE) {
} else if (which[i] == ArgInfo::VARIABLE) {
if (argindex[i] == 0)
result[i] = input->variable->compute_equal(m);
else {