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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
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24
src/PYTHON/python.cpp
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@ -11,7 +11,7 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "Python.h"
#include <Python.h>
#include "python.h"
#include "force.h"
#include "input.h"
@ -75,7 +75,7 @@ void Python::command(int narg, char **arg)
if (noutput) {
str = input->variable->pythonstyle(pfuncs[ifunc].ovarname,
pfuncs[ifunc].name);
if (!str)
if (!str)
error->all(FLERR,"Python variable does not match Python function");
}
@ -185,7 +185,7 @@ void Python::command(int narg, char **arg)
PyObject *pModule = (PyObject *) pyMain;
PyObject *pFunc = PyObject_GetAttrString(pModule,pfuncs[ifunc].name);
if (!pFunc) error->all(FLERR,"Could not find Python function");
if (!PyCallable_Check(pFunc))
if (!PyCallable_Check(pFunc))
error->all(FLERR,"Python function is not callable");
pfuncs[ifunc].pFunc = (void *) pFunc;
@ -216,28 +216,28 @@ void Python::invoke_function(int ifunc, char *result)
if (itype == INT) {
if (pfuncs[ifunc].ivarflag[i]) {
str = input->variable->retrieve(pfuncs[ifunc].svalue[i]);
if (!str)
if (!str)
error->all(FLERR,"Could not evaluate Python function input variable");
pValue = PyInt_FromLong(atoi(str));
} else pValue = PyInt_FromLong(pfuncs[ifunc].ivalue[i]);
} else if (itype == DOUBLE) {
if (pfuncs[ifunc].ivarflag[i]) {
str = input->variable->retrieve(pfuncs[ifunc].svalue[i]);
if (!str)
if (!str)
error->all(FLERR,"Could not evaluate Python function input variable");
pValue = PyFloat_FromDouble(atof(str));
} else pValue = PyFloat_FromDouble(pfuncs[ifunc].dvalue[i]);
} else if (itype == STRING) {
if (pfuncs[ifunc].ivarflag[i]) {
str = input->variable->retrieve(pfuncs[ifunc].svalue[i]);
if (!str)
if (!str)
error->all(FLERR,"Could not evaluate Python function input variable");
pValue = PyString_FromString(str);
} else pValue = PyString_FromString(pfuncs[ifunc].svalue[i]);
} else if (itype == PTR) {
pValue = PyCObject_FromVoidPtr((void *) lmp,NULL);
}
PyTuple_SetItem(pArgs,i,pValue);
PyTuple_SetItem(pArgs,i,pValue);
}
// call the Python function
@ -297,7 +297,7 @@ int Python::create_entry(char *name)
if (ifunc < 0) {
ifunc = nfunc;
nfunc++;
pfuncs = (PyFunc *)
pfuncs = (PyFunc *)
memory->srealloc(pfuncs,nfunc*sizeof(struct PyFunc),"python:pfuncs");
int n = strlen(name) + 1;
pfuncs[ifunc].name = new char[n];
@ -306,10 +306,10 @@ int Python::create_entry(char *name)
pfuncs[ifunc].ninput = ninput;
pfuncs[ifunc].noutput = noutput;
if (!format && ninput+noutput)
error->all(FLERR,"Invalid python command");
else if (format && strlen(format) != ninput+noutput)
else if (format && strlen(format) != ninput+noutput)
error->all(FLERR,"Invalid python command");
// process inputs as values or variables
@ -361,12 +361,12 @@ int Python::create_entry(char *name)
} else if (type == 'p') {
pfuncs[ifunc].ivarflag[i] = 0;
pfuncs[ifunc].itype[i] = PTR;
if (strcmp(istr[i],"SELF") != 0)
if (strcmp(istr[i],"SELF") != 0)
error->all(FLERR,"Invalid python command");
} else error->all(FLERR,"Invalid python command");
}
// process output as value or variable
pfuncs[ifunc].ovarname = NULL;