source: util/src/CreateH2.c@ b4fa915

Last change on this file since b4fa915 was ef87ee, checked in by Frederik Heber <heber@…>, 16 years ago

Added versioning to each executable.

  • credits to Ralf Wildenhues for writing the Makefile.am code
  • version.c section added to Makefile.am (pcp, molecuilder and util)
  • src/version.h to each pcp, molecuilder and util
  • each of the executables includes version.h and prints version in main()

Signed-off-by: Frederik Heber <heber@…>

  • Property mode set to 100644
File size: 1.8 KB
Line 
1/*
2 Project: CP
3 Jan Hamaekers
4 1999
5
6 File: CreateH2.c
7
8*/
9/*$Id: CreateH2.c,v 1.2 2007-09-03 16:28:58 heber Exp $*/
10
11#include<stdlib.h>
12#include<stdio.h>
13#include<math.h>
14
15#include "version.h"
16
17int main(int argc, char** argv) {
18 int Steps, s;
19 double start[3];
20 double delta;
21 double Delta[3], h2[3];
22 FILE *target;
23 char dummy[255];
24
25 fprintf(stdout, "%s\n", ESPACKVersion);
26
27 if(argc < 8) {
28 fprintf(stderr,"Not enough arguments\nUsage: CreateH2 target Steps startx starty startz delta xyz\n");
29 exit(1);
30 }
31 sprintf(dummy, "%s.h2", argv[1]);
32 target = fopen(dummy, "w");
33 if(target == 0) {
34 fprintf(stderr,"Could not open targetbox\n");
35 exit(1);
36 }
37
38 Steps = atoi(argv[2]);
39 start[0] = atof(argv[3]);
40 start[1] = atof(argv[4]);
41 start[2] = atof(argv[5]);
42 delta = atof(argv[6]);
43 Delta[0] = 0.0; Delta[1] = 0.0; Delta[2] = 0.0;
44 Delta[atoi(argv[7])] = delta/(Steps-1);
45 h2[0] = 0.0; h2[1] = 0.0; h2[2] = 0.0;
46 h2[atoi(argv[8])] = 0.37042405;
47 fprintf(target, "2 1 1.0 1 1 0.1\n");
48 fprintf(target, "%e\t%e\t%e\t2\t%i\n", start[0]-h2[0], start[1]-h2[1], start[2]-h2[2], 2*Steps-2);
49 for (s=1; s<Steps; s++) {
50 fprintf(target, "%e\t%e\t%e\n", start[0]+s*Delta[0]-h2[0], start[1]+s*Delta[1]-h2[1], start[2]+s*Delta[2]-h2[2]);
51 }
52 for (s=Steps-2; s>=0; s--) {
53 fprintf(target, "%e\t%e\t%e\n", start[0]+s*Delta[0]-h2[0], start[1]+s*Delta[1]-h2[1], start[2]+s*Delta[2]-h2[2]);
54 }
55 fprintf(target, "%e\t%e\t%e\t2\t%i\n", start[0]+h2[0], start[1]+h2[1], start[2]+h2[2], 2*Steps-2);
56 for (s=1; s<Steps; s++) {
57 fprintf(target, "%e\t%e\t%e\n", start[0]+s*Delta[0]+h2[0], start[1]+s*Delta[1]+h2[1], start[2]+s*Delta[2]+h2[2]);
58 }
59 for (s=Steps-2; s>=0; s--) {
60 fprintf(target, "%e\t%e\t%e\n", start[0]+s*Delta[0]+h2[0], start[1]+s*Delta[1]+h2[1], start[2]+s*Delta[2]+h2[2]);
61 }
62 fclose(target);
63 return(0);
64}
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