steric_1.11
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Makefile,
Makefile.sgi,
README.steric,
contplot,
craig.c,
craig.h,
crystal.c,
crystal.h,
integrat.c,
integrat.h,
leach.c,
leach.h,
long_steric,
makeit,
mapcont,
mapcont.c,
mapprof,
mapprof.c,
profplot,
proja.c,
proja.h,
ryan.c,
ryan.h,
ryan_perm.c,
ryan_perm.h,
ryan_quad.c,
ryan_quad.h,
steraid.c,
steraid.h,
stercalc.c,
stercalc.h,
stercomm.c,
stercomm.h,
sterdefn.h,
stererr.h,
sterfile.c,
sterfile.h,
stergrap.c,
stergrap.h,
stergrp.c,
stergrp.h,
steric,
steric.TeX,
steric.err,
steric.grp,
steric.hlp,
steric.ini,
steric.par,
stermain.c,
stermem.c,
stermem.h,
sterover.c,
sterover.h,
sterplot,
stertext.c,
stertext.h,
test.bgf,
test.inp,
vectors.c,
vectors.h,
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/**************************************************************************/
/**************************************************************************/
/************************** "steric" **********************************/
/**************************************************************************/
/************* Program to calculate ligand cone ********************/
/************* angles as a measure of steric size ********************/
/**************************************************************************/
/**************************************************************************/
/**************************************************************************/
/****************** Text mode Functions **************************/
/**************************************************************************/
/****************** This module is **************************/
/****************** system independant **************************/
/**************************************************************************/
#include
#include
#include "sterdefn.h" /* declaration of structures, functions and globals */
#include "stertext.h" /* all text functions for text mode */
/**************************************************************************/
/**************************************************************************/
int Out_Message(char *message, char mode)
{
switch(mode)
{
case O_BLANK : fprintf(output,"%s",message); break;
case O_CARET : fprintf(output,"%s\r",message); break;
case O_NEWLN : fprintf(output,"%s\n",message); break;
case O_CRNLN : fprintf(output,"%s\r\n",message); break;
default : fprintf(output,"%s",message); break;
}
return(1);
}
/**************************************************************************/
int Error_Message(int error, char *string)
{
FILE *err;
char word[ERR_NUM+1];
char line[LINELEN];
int count=0,num=0,l=0;
sprintf(line,"steric.err");
if ((err = fopen(line, "rt")) == NULL)
{
sprintf(line,"%s/steric.err",STERICHOME);
if ((err = fopen(line, "rt")) == NULL)
{
sprintf(line,"No error message file [steric.err] | [%s/steric.err]",STERICHOME);
Out_Message(line,O_NEWLN);
}
}
else
{
while(fgets(line,115,err)!=NULL)
{
if(line[0]!='#')
{
for(count=0;countERR_NUM) Out_Message(line+ERR_NUM,O_BLANK);
else Out_Message("",O_NEWLN);
l++;
}
}
}
fclose(err);
}
return(0);
}
/**************************************************************************/
int Title(void)
{
char line[120];
sprintf(line," STERIC");
Out_Message(line,O_NEWLN);
sprintf(line," text version %4.2f by B.C.Taverner %d/'%d",(float)VERSION/100,V_MONTH,V_YEAR);
Out_Message(line,O_NEWLN);
sprintf(line," Calculations of Cone Angles, Solid Angles, Volumes and Areas");
Out_Message(line,O_NEWLN);
sprintf(line," as Measures of Molecule Steric Size");
Out_Message(line,O_NEWLN);
Out_Message("",O_NEWLN);
return(1);
}
/**************************************************************************/
int Get_Yes_No_Request(char *line, unsigned mode, FILE *input)
{
char ans[10];
ans[1]='>';
ans[2]=0;
if(mode) { ans[0]='y'; mode='y'; }
else { ans[0]='n'; mode='n'; }
if(input==stdin) printf("%s <",line);
Get_Input_Line(ans,input);
while(1)
{
if((ans[0]=='n')||(ans[0]=='N')) return(0);
else if((ans[0]=='y')||(ans[0]=='Y')) return(1);
else ans[0]=mode;
}
return(1);
}
/**************************************************************************/
int Get_Input_Line(char *line, FILE *input)
{
if(input==stdin)
{
printf(line);
}
if((fgets(line,LINELEN-2,input)==NULL)||(feof(input)))
{
printf(line);
if(fgets(line,LINELEN-2,stdin)==NULL) return(2);
if(strchr(line,'\n')) *strchr(line,'\n')=0;
return(0);
}
if(strchr(line,'\n')) *strchr(line,'\n')=0;
return(1);
}
/**************************************************************************/
int Get_Command_Line(char *line, FILE *input)
{
return(Get_Input_Line(line,input));
}
/**************************************************************************/
/************************* The End ... ***********************************/
/**************************************************************************/
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