src/gromacs/math/3dtransforms.cpp

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  37 #include "gmxpre.h"
  38
  39 #include "3dtransforms.h"
  40
  41 #include <stdio.h>
  42
  43 #include <cmath>
  44
  45 #include "gromacs/math/vec.h"
  46 #include "gromacs/utility/fatalerror.h"
  47
  48 #define N 4
  49
  50 void gmx_mat4_copy(mat4 a, mat4 b)
  51 {
  52     for (int i = 0; i < N; ++i)
  53     {
  54         for (int j = 0; j < N; ++j)
  55         {
  56             b[i][j] = a[i][j];
  57         }
  58     }
  59 }
  60
  61 void gmx_mat4_transform_point(mat4 m, const rvec x, vec4 v)
  62 {
  63     int i;
  64
  65     for (i = 0; (i < N); i++)
  66     {
  67         v[i] = m[XX][i]*x[XX]+m[YY][i]*x[YY]+m[ZZ][i]*x[ZZ]+m[WW][i];
  68     }
  69 }
  70
  71 void gmx_mat4_mmul(mat4 A, mat4 B, mat4 C)
  72 {
  73     int i, j, k;
  74
  75     for (i = 0; i < N; i++)
  76     {
  77         for (j = 0; j < N; j++)
  78         {
  79             A[i][j] = 0;
  80             for (k = 0; (k < N); k++)
  81             {
  82                 A[i][j] += B[i][k]*C[k][j];
  83             }
  84         }
  85     }
  86 }
  87
  88 void gmx_mat4_init_unity(mat4 m)
  89 {
  90     int i, j;
  91
  92     for (i = 0; (i < N); i++)
  93     {
  94         for (j = 0; (j < N); j++)
  95         {
  96             if (i == j)
  97             {
  98                 m[i][j] = 1.0;
  99             }
 100             else
 101             {
 102                 m[i][j] = 0.0;
 103             }
 104         }
 105     }
 106 }
 107
 108 void gmx_mat4_init_rotation(int axis, real angle, mat4 A)
 109 {
 110     gmx_mat4_init_unity(A);
 111
 112     switch (axis)
 113     {
 114         case XX:
 115             A[YY][YY] =  cos(angle);
 116             A[YY][ZZ] = -sin(angle);
 117             A[ZZ][YY] =  sin(angle);
 118             A[ZZ][ZZ] =  cos(angle);
 119             break;
 120         case YY:
 121             A[XX][XX] =  cos(angle);
 122             A[XX][ZZ] =  sin(angle);
 123             A[ZZ][XX] = -sin(angle);
 124             A[ZZ][ZZ] =  cos(angle);
 125             break;
 126         case ZZ:
 127             A[XX][XX] =  cos(angle);
 128             A[XX][YY] = -sin(angle);
 129             A[YY][XX] =  sin(angle);
 130             A[YY][YY] =  cos(angle);
 131             break;
 132         default:
 133             gmx_fatal(FARGS, "Error: invalid axis: %d", axis);
 134     }
 135 }
 136
 137 void gmx_mat4_init_translation(real tx, real ty, real tz, mat4 A)
 138 {
 139     gmx_mat4_init_unity(A);
 140     A[3][XX] = tx;
 141     A[3][YY] = ty;
 142     A[3][ZZ] = tz;
 143 }
 144
 145 void gmx_mat4_print(FILE *fp, const char *s, mat4 A)
 146 {
 147     int i, j;
 148
 149     if (fp)
 150     {
 151         fprintf(fp, "%s: ", s);
 152         for (i = 0; i < N; i++)
 153         {
 154             fprintf(fp, "\t");
 155             for (j = 0; j < N; j++)
 156             {
 157                 fprintf(fp, "%10.5f", A[i][j]);
 158             }
 159             fprintf(fp, "\n");
 160         }
 161     }
 162 }
 163
 164 void gmx_vec4_print(FILE *fp, const char *s, vec4 a)
 165 {
 166     int j;
 167
 168     if (fp)
 169     {
 170         fprintf(fp, "%s: ", s);
 171         for (j = 0; j < N; j++)
 172         {
 173             fprintf(fp, "%10.5f", a[j]);
 174         }
 175         fprintf(fp, "\n");
 176     }
 177 }