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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9939 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-05-30 16:29:38 +00:00
parent 3f142bb498
commit 124bfc5ba7
23 changed files with 90 additions and 781 deletions
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33
src/variable.cpp
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@ -43,7 +43,7 @@ using namespace MathConst;
#define MYROUND(a) (( a-floor(a) ) >= .5) ? ceil(a) : floor(a)
enum{INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,FILEVAR,EQUAL,ATOM};
enum{INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,FILEVAR,AFILEVAR,EQUAL,ATOM};
enum{ARG,OP};
// customize by adding a function
@ -288,10 +288,27 @@ void Variable::set(int narg, char **arg)
pad[nvar] = 0;
data[nvar] = new char*[num[nvar]];
data[nvar][0] = new char[MAXLINE];
reader[nvar] = new VarReader(lmp,arg[2]);
reader[nvar] = new VarReader(lmp,arg[2],FILEVAR);
int flag = reader[nvar]->read(data[nvar][0]);
if (flag) error->all(FLERR,"File variable could not read value");
// AFILEVAR for numbers
// which = 1st value
} else if (strcmp(arg[1],"afile") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) grow();
style[nvar] = AFILEVAR;
num[nvar] = 1;
which[nvar] = 0;
pad[nvar] = 0;
//data[nvar] = new char*[num[nvar]];
//data[nvar][0] = new char[MAXLINE];
reader[nvar] = new VarReader(lmp,arg[2],AFILEVAR);
int flag = reader[nvar]->read(data[nvar][0]);
if (flag) error->all(FLERR,"Afile variable could not read values");
// EQUAL
// remove pre-existing var if also style EQUAL (allows it to be reset)
// num = 2, which = 1st value
@ -3649,9 +3666,10 @@ unsigned int Variable::data_mask(char *str)
class to read variable values from a file, line by line
------------------------------------------------------------------------- */
VarReader::VarReader(LAMMPS *lmp, char *file) : Pointers(lmp)
VarReader::VarReader(LAMMPS *lmp, char *file, int flag) : Pointers(lmp)
{
MPI_Comm_rank(world,&me);
style = flag;
if (me == 0) {
fp = fopen(file,"r");
@ -3671,6 +3689,7 @@ VarReader::~VarReader()
}
/* ----------------------------------------------------------------------
read for FILEVAR style
read next value from file into str
strip comments, skip blank lines
return 0 if successful, 1 if end-of-file
@ -3699,3 +3718,11 @@ int VarReader::read(char *str)
MPI_Bcast(str,n,MPI_CHAR,0,world);
return 0;
}
/* ----------------------------------------------------------------------
read for AFILEVAR style
------------------------------------------------------------------------- */
int VarReader::read(double *)
{
}