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|
// Copyright 2004, 2007 Nanorex, Inc. See LICENSE file for details.
//====================================================================//
/* Program to compare two mmp files.
Program Arguments: two mmp files.
Details:
Small differences in the atom positions in the mmp file are neglected
The Tolerence value for the atom positions in |5|
main() is in this file itself. This is an independent program
-Ninad Sathaye,
Nanorex Inc.
Date: August 12, 2004
*/
//===================================================================//
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <string.h>
FILE *file1;
FILE *file2;
FILE *pOutFile;
# define PART 1
# define ATOM 2
# define BOND 3
# define GRND 4
# define MOTOR 5
# define LINMOT 6
# define SHAFT 7
# define BEARING 8
# define SHOW 9
# define END 10
# define OTHERS 11
int gSpaceAtom[]= { 2,3,2,2,0}; // This array is defining the 'empty spaces' between the two
// entries , in a line starting with 'atom' :-)
char * gStringArray[]= {"def", "nil", "lin", "cpk", "tub", "mix", "vdw"};//These are the valid codes
//after 'show' word in mmp file
int parse(char * psCnt)
{
if (0==strncmp(psCnt,"part",4))
return PART ;
else if (0==strncmp(psCnt,"atom",4))
return ATOM;
else if (0==strncmp(psCnt,"bond",4))
return BOND;
else if (0==strncmp(psCnt,"ground",6))
return GRND;
else if (0==strncmp(psCnt,"motor",5))
return MOTOR;
else if (0==strncmp(psCnt,"linmotor",8))
return LINMOT;
else if (0==strncmp(psCnt,"shaft",5))
return SHAFT;
else if (0==strncmp(psCnt,"bearing",7))
return BEARING;
else if (0==strncmp(psCnt,"show",4))
return SHOW;
else if (0==strncmp(psCnt,"end",3))
return END;
else return OTHERS;
}
void main (int argc, char *argv[])
{
int i;
int check1,check2; //required in case SHOW
// int nExit;
int ntemp=0; //this is temp.
char filename1[100],filename2[100];
char buf1[128],buf2[128];
char *pBuf1= buf1;
char *pBuf2=buf2;
char *psTok1;//used as StiringTokens
char *psTok2;
long l1, l2;
char *pFile1;
char *pFile2;
pOutFile=fopen ("mmpsCompared.txt","w");
fprintf(pOutFile,"***\tProgram for comparing two mmp files\t***\n\n");
fprintf(pOutFile,"Small differences in atom positions are ignored (Tolerence=5)\n");
fprintf(pOutFile,"Differences in theh 'show' mode are ignored but still check for valid codes such as lin, vdw etc.:\n\n");
fprintf(pOutFile,"Input mmp files are as follows:\n");
fprintf(pOutFile,"File1: %s\t File2: %s\n\n\n",argv[1],argv[2]);
if(argc==3)
{
strcpy(filename1, argv[1]);
strcpy(filename2, argv[2]);
}
else
{
printf("***Program for comparing two mmp files***");
printf("This program needs exactly two arguments and you are seeing this message because \n either those were not provided or more than 2 args were given .\n");
printf("Please provide the two file names to compare and run the program again");
exit(1);
}
file1=fopen(filename1,"r");
file2=fopen(filename2,"r");
i=0;
printf("BEFORE the while loop /n");
pFile1 = fgets(buf1,127,file1);
pFile2 = fgets(buf2,127,file2);
while(pFile1 || pFile2)
{
pBuf1 = buf1;
pBuf2 = buf2;
switch (parse(pBuf1))
{
case PART :
{
break;
}
case BOND :
{
if(0 != strcmp(pBuf1,pBuf2))
{
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
}
case ATOM :
{
pBuf1+=5;
pBuf2+=5;
for (i=0;i<5;i++)
{
l1= strtol(pBuf1,&pBuf1,10);
l2 = strtol(pBuf2,&pBuf2,10);
if (l1 !=l2 && i<2)
{
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
else if (i>=2 && labs(l1-l2) >5)
{
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
pBuf1+=gSpaceAtom[i];
pBuf2+=gSpaceAtom[i];
}
break ;
}
case GRND :
{
if(0 != strcmp(pBuf1,pBuf2))
{
printf("IN the GRND case \n");
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
break;
}
case MOTOR :
{
if(0 != strcmp(pBuf1,pBuf2))
{
printf("IN the MOTOR case \n");
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
break;
}
case LINMOT :
{
if(0 != strcmp(pBuf1,pBuf2))
{
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
break;
}
case SHAFT :
{
if(0 != strcmp(pBuf1,pBuf2))
{
printf("IN the SHAFT case \n");
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
break;
}
case BEARING :
{
if(0 != strcmp(pBuf1,pBuf2))
{
printf("IN the BEARING case \n");
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
break;
}
case SHOW :
{
ntemp++; //this is for debug
pBuf1+=5;
pBuf2+=5;
psTok1=strtok(pBuf1," ");
psTok2=strtok(pBuf2," ");
check1=check2=0;
for (i=0;i<7;i++)
{
if (0==strncmp(psTok1,gStringArray[i], strlen(gStringArray[i]))) check1=1;
if (0==strncmp(psTok2,gStringArray[i], strlen(gStringArray[i]))) check2=1;
}
if(check1!=1 || check2!=1)
{
printf("In the SHOW case\t ntemp=%d\n",ntemp);
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
break;
}
case END :
{
break;
}
case OTHERS : //These are the ones that are not a standard part of mmp files So print those buffers
{
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
}
pFile1 = fgets(buf1,127,file1);
pFile2 = fgets(buf2,127,file2);
}
fclose(file1);
fclose(file2);
fclose(pOutFile);
}
/* case BOND :
{
nExit=0; //To get out of while loop in case a mismatch is found
//so that no further checking is required. (nExit =1)
pBuf1+=4;
pBuf2+=4;
psTok1=strtok(pBuf1," ");
psTok2=strtok(pBuf2," ");
while(psTok1!=NULL && psTok2!=NULL && nExit==0)
{
if(0!= strcmp(psTok1,psTok2))
{
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
nExit=1;
}
//Get the next tokens
psTok1=strtok(psTok1+strlen(psTok1)+1," ");
psTok2=strtok(psTok2+strlen(psTok2)+1," ");
}
break;
}*/
/* case BOND :
{
nExit=0; //To get out of while loop in case a mismatch is found
//so that no further checking is required. (nExit =1)
pBuf1+=4;
pBuf2+=4;
while(pBuf1!=NULL || pBuf2 !=NULL)
{
if(*pBuf1++!=*pBuf2))
{
fprintf(pOutFile,"==\n");
fprintf(pOutFile,"file 1 : %sfile 2 : %s",buf1,buf2);
break;
}
while(pBuf1 ==" " && *pBuf1 != '\0') pBuf1+=1;
while(pBuf2==" " && *pBuf2 != '\0') pBuf2+=1;
}
break;
}*/
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