forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3730 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
b3ecdb2d14
commit
fae7fd7621
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@ -15,6 +15,7 @@
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#include "stdio.h"
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#include "stdlib.h"
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#include "string.h"
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#include "ctype.h"
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#include "input.h"
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#include "style_command.h"
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#include "universe.h"
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@ -117,20 +118,24 @@ Input::~Input()
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void Input::file()
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{
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int n;
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int m,n;
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while (1) {
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// read one line from input script
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// read a line from input script
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// if line ends in continuation char '&', concatenate next line(s)
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// n = str length of line
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// n = length of line including str terminator, 0 if end of file
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// m = position of last printable char in line or -1 if blank line
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if (me == 0) {
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if (fgets(line,MAXLINE,infile) == NULL) n = 0;
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else n = strlen(line) + 1;
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while (n >= 3 && line[n-3] == '&') {
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if (fgets(&line[n-3],MAXLINE-n+3,infile) == NULL) n = 0;
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m = 0;
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while (1) {
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if (fgets(&line[m],MAXLINE-m,infile) == NULL) n = 0;
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else n = strlen(line) + 1;
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if (n == 0) break;
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m = n-2;
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while (m >= 0 && isspace(line[m])) m--;
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if (m < 0 || line[m] != '&') break;
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}
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}
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@ -516,7 +521,10 @@ void Input::echo()
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void Input::ifthenelse()
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{
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if (narg != 5 && narg != 7) error->all("Illegal if command");
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if (narg < 5) error->all("Illegal if command");
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// flag = 0 for "then"
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// flag = 1 for "else"
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int flag = 0;
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if (strcmp(arg[1],"==") == 0) {
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@ -533,16 +541,35 @@ void Input::ifthenelse()
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if (atof(arg[0]) >= atof(arg[2])) flag = 1;
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} else error->all("Illegal if command");
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// first = arg index of first "then" or "else" command
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// last = arg index of last "then" or "else" command
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int iarg,first,last;
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if (strcmp(arg[3],"then") != 0) error->all("Illegal if command");
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if (narg == 7 && strcmp(arg[5],"else") != 0)
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error->all("Illegal if command");
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if (flag) {
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iarg = first = 4;
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while (iarg < narg && strcmp(arg[iarg],"else") != 0) iarg++;
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last = iarg-1;
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} else {
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iarg = 4;
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while (iarg < narg && strcmp(arg[iarg],"else") != 0) iarg++;
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if (iarg == narg) error->all("Illegal if command");
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first = iarg+1;
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last = narg-1;
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}
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char str[128] = "\0";
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if (flag) strcpy(str,arg[4]);
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else if (narg == 7) strcpy(str,arg[6]);
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strcat(str,"\n");
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if (last-first < 0) error->all("Illegal if command");
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if (strlen(str) > 1) char *tmp = one(str);
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// execute the list of commands
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char str[256];
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for (int i = first; i <= last; i++) {
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if (strlen(arg[i]) == 0) error->all("Illegal if command");
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strcpy(str,arg[i]);
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strcat(str,"\n");
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char *tmp = one(str);
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}
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}
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/* ---------------------------------------------------------------------- */
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@ -638,15 +665,22 @@ void Input::next_command()
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void Input::print()
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{
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if (narg != 1) error->all("Illegal print command");
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if (narg == 0) error->all("Illegal print command");
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// substitute for $ variables (no printing)
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// print args one at a time, separated by spaces
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substitute(arg[0],0);
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for (int i = 0; i < narg; i++) {
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substitute(arg[i],0);
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if (me == 0) {
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if (screen) fprintf(screen,"%s ",arg[i]);
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if (logfile) fprintf(logfile,"%s ",arg[i]);
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}
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}
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if (me == 0) {
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if (screen) fprintf(screen,"%s\n",arg[0]);
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if (logfile) fprintf(logfile,"%s\n",arg[0]);
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if (screen) fprintf(screen,"\n");
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if (logfile) fprintf(logfile,"\n");
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}
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}
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54
src/run.cpp
54
src/run.cpp
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@ -55,7 +55,7 @@ void Run::command(int narg, char **arg)
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int preflag = 1;
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int postflag = 1;
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int nevery = 0;
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char *commandstr = NULL;
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int first,last,ncommands;
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int iarg = 1;
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while (iarg < narg) {
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@ -86,24 +86,18 @@ void Run::command(int narg, char **arg)
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else error->all("Illegal run command");
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iarg += 2;
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// generate commandstr if last arg is not NULL
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// commandstr = concatenation of all remaining args
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// if an arg has spaces, enclose in quotes since input parser removed them
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// all remaining args are commands
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// first,last = arg index of first/last commands
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// set ncommands = 0 if single command and it is NULL
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} else if (strcmp(arg[iarg],"every") == 0) {
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if (iarg+3 > narg) error->all("Illegal run command");
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nevery = atoi(arg[iarg+1]);
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if (nevery <= 0) error->all("Illegal run command");
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if (strcmp(arg[iarg+2],"NULL") != 0) {
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commandstr = new char[MAXLINE];
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commandstr[0] = '\0';
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for (int jarg = iarg+2; jarg < narg; jarg++) {
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if (strchr(arg[jarg],' ')) strcat(commandstr,"\"");
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strcat(commandstr,arg[jarg]);
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if (strchr(arg[jarg],' ')) strcat(commandstr,"\"");
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strcat(commandstr," ");
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}
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}
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first = iarg+2;
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last = narg-1;
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ncommands = last-first + 1;
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if (ncommands == 1 && strcmp(arg[first],"NULL") == 0) ncommands = 0;
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iarg = narg;
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} else error->all("Illegal run command");
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}
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@ -112,6 +106,21 @@ void Run::command(int narg, char **arg)
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if (uptoflag) nsteps -= update->ntimestep;
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// if nevery, make copies of arg strings that are commands
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// required because re-parsing commands during run will wipe out args
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char **commands = NULL;
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if (nevery && ncommands > 0) {
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commands = new char*[ncommands];
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ncommands = 0;
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for (int i = first; i <= last; i++) {
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int n = strlen(arg[i]) + 1;
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commands[ncommands] = new char[n];
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strcpy(commands[ncommands],arg[i]);
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ncommands++;
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}
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}
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// error check
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if (uptoflag && nsteps < 0)
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@ -156,7 +165,7 @@ void Run::command(int narg, char **arg)
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Finish finish(lmp);
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finish.end(postflag);
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// perform multiple runs optionally interleaved with invocation of a command
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// perform multiple runs optionally interleaved with invocation command(s)
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// use start/stop to set begin/end step
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// if pre or 1st iteration of multiple runs, do System init/setup,
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// else just init timer and setup output
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@ -195,12 +204,13 @@ void Run::command(int narg, char **arg)
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if (postflag || nleft <= nsteps) finish.end(1);
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else finish.end(0);
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// command string may invoke computes via command with variable
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// so wrap with clearstep/addstep
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// wrap command invocation with clearstep/addstep
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// since a command may invoke computes via variables
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if (commandstr) {
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if (ncommands) {
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modify->clearstep_compute();
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char *command = input->one(commandstr);
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for (int i = 0; i < ncommands; i++)
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char *command = input->one(commands[i]);
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modify->addstep_compute(update->ntimestep + nevery);
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}
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@ -212,5 +222,9 @@ void Run::command(int narg, char **arg)
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update->whichflag = 0;
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update->firststep = update->laststep = 0;
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update->beginstep = update->endstep = 0;
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delete [] commandstr;
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if (commands) {
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for (int i = 0; i < ncommands; i++) delete [] commands[i];
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delete [] commands;
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}
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}
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