1 /*
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37 */
38 #include "gmxpre.h"
39
40 #include "vecdump.h"
41
42 #include <cstdio>
43 #include <cstdlib>
44
45 #include "gromacs/math/vec.h"
46 #include "gromacs/utility/strconvert.h"
47 #include "gromacs/utility/txtdump.h"
48
pr_ivec(FILE * fp,int indent,const char * title,const int vec[],int n,gmx_bool bShowNumbers)49 void pr_ivec(FILE* fp, int indent, const char* title, const int vec[], int n, gmx_bool bShowNumbers)
50 {
51 int i;
52
53 if (available(fp, vec, indent, title))
54 {
55 indent = pr_title_n(fp, indent, title, n);
56 for (i = 0; i < n; i++)
57 {
58 pr_indent(fp, indent);
59 fprintf(fp, "%s[%d]=%d\n", title, bShowNumbers ? i : -1, vec[i]);
60 }
61 }
62 }
63
pr_ivec_block(FILE * fp,int indent,const char * title,const int vec[],int n,gmx_bool bShowNumbers)64 void pr_ivec_block(FILE* fp, int indent, const char* title, const int vec[], int n, gmx_bool bShowNumbers)
65 {
66 int i, j;
67
68 if (available(fp, vec, indent, title))
69 {
70 indent = pr_title_n(fp, indent, title, n);
71 i = 0;
72 while (i < n)
73 {
74 j = i + 1;
75 while (j < n && vec[j] == vec[j - 1] + 1)
76 {
77 j++;
78 }
79 /* Print consecutive groups of 3 or more as blocks */
80 if (j - i < 3)
81 {
82 while (i < j)
83 {
84 pr_indent(fp, indent);
85 fprintf(fp, "%s[%d]=%d\n", title, bShowNumbers ? i : -1, vec[i]);
86 i++;
87 }
88 }
89 else
90 {
91 pr_indent(fp, indent);
92 fprintf(fp, "%s[%d,...,%d] = {%d,...,%d}\n", title, bShowNumbers ? i : -1,
93 bShowNumbers ? j - 1 : -1, vec[i], vec[j - 1]);
94 i = j;
95 }
96 }
97 }
98 }
99
pr_bvec(FILE * fp,int indent,const char * title,const gmx_bool vec[],int n,gmx_bool bShowNumbers)100 void pr_bvec(FILE* fp, int indent, const char* title, const gmx_bool vec[], int n, gmx_bool bShowNumbers)
101 {
102 int i;
103
104 if (available(fp, vec, indent, title))
105 {
106 indent = pr_title_n(fp, indent, title, n);
107 for (i = 0; i < n; i++)
108 {
109 pr_indent(fp, indent);
110 fprintf(fp, "%s[%d]=%s\n", title, bShowNumbers ? i : -1, gmx::boolToString(vec[i]));
111 }
112 }
113 }
114
pr_ivecs(FILE * fp,int indent,const char * title,const ivec vec[],int n,gmx_bool bShowNumbers)115 void pr_ivecs(FILE* fp, int indent, const char* title, const ivec vec[], int n, gmx_bool bShowNumbers)
116 {
117 int i, j;
118
119 if (available(fp, vec, indent, title))
120 {
121 indent = pr_title_nxn(fp, indent, title, n, DIM);
122 for (i = 0; i < n; i++)
123 {
124 pr_indent(fp, indent);
125 fprintf(fp, "%s[%d]={", title, bShowNumbers ? i : -1);
126 for (j = 0; j < DIM; j++)
127 {
128 if (j != 0)
129 {
130 fprintf(fp, ", ");
131 }
132 fprintf(fp, "%d", vec[i][j]);
133 }
134 fprintf(fp, "}\n");
135 }
136 }
137 }
138
139 template<typename T>
printRealVector(FILE * fp,int indent,const char * title,const T vec[],int n,gmx_bool bShowNumbers)140 static void printRealVector(FILE* fp, int indent, const char* title, const T vec[], int n, gmx_bool bShowNumbers)
141 {
142 if (available(fp, vec, indent, title))
143 {
144 indent = pr_title_n(fp, indent, title, n);
145 for (int i = 0; i < n; i++)
146 {
147 pr_indent(fp, indent);
148 fprintf(fp, "%s[%d]=%12.5e\n", title, bShowNumbers ? i : -1, vec[i]);
149 }
150 }
151 }
152
pr_rvec(FILE * fp,int indent,const char * title,const real vec[],int n,gmx_bool bShowNumbers)153 void pr_rvec(FILE* fp, int indent, const char* title, const real vec[], int n, gmx_bool bShowNumbers)
154 {
155 printRealVector<real>(fp, indent, title, vec, n, bShowNumbers);
156 }
157
pr_fvec(FILE * fp,int indent,const char * title,const float vec[],int n,gmx_bool bShowNumbers)158 void pr_fvec(FILE* fp, int indent, const char* title, const float vec[], int n, gmx_bool bShowNumbers)
159 {
160 printRealVector<float>(fp, indent, title, vec, n, bShowNumbers);
161 }
162
pr_dvec(FILE * fp,int indent,const char * title,const double vec[],int n,gmx_bool bShowNumbers)163 void pr_dvec(FILE* fp, int indent, const char* title, const double vec[], int n, gmx_bool bShowNumbers)
164 {
165 printRealVector<double>(fp, indent, title, vec, n, bShowNumbers);
166 }
167
168
pr_rvecs_len(FILE * fp,int indent,const char * title,const rvec vec[],int n)169 void pr_rvecs_len(FILE* fp, int indent, const char* title, const rvec vec[], int n)
170 {
171 int i, j;
172
173 if (available(fp, vec, indent, title))
174 {
175 indent = pr_title_nxn(fp, indent, title, n, DIM);
176 for (i = 0; i < n; i++)
177 {
178 pr_indent(fp, indent);
179 fprintf(fp, "%s[%5d]={", title, i);
180 for (j = 0; j < DIM; j++)
181 {
182 if (j != 0)
183 {
184 fprintf(fp, ", ");
185 }
186 fprintf(fp, "%12.5e", vec[i][j]);
187 }
188 fprintf(fp, "} len=%12.5e\n", norm(vec[i]));
189 }
190 }
191 }
192
pr_rvecs(FILE * fp,int indent,const char * title,const rvec vec[],int n)193 void pr_rvecs(FILE* fp, int indent, const char* title, const rvec vec[], int n)
194 {
195 const char* fshort = "%12.5e";
196 const char* flong = "%15.8e";
197 const char* format;
198 int i, j;
199
200 if (getenv("GMX_PRINT_LONGFORMAT") != nullptr)
201 {
202 format = flong;
203 }
204 else
205 {
206 format = fshort;
207 }
208
209 if (available(fp, vec, indent, title))
210 {
211 indent = pr_title_nxn(fp, indent, title, n, DIM);
212 for (i = 0; i < n; i++)
213 {
214 pr_indent(fp, indent);
215 fprintf(fp, "%s[%5d]={", title, i);
216 for (j = 0; j < DIM; j++)
217 {
218 if (j != 0)
219 {
220 fprintf(fp, ", ");
221 }
222 fprintf(fp, format, vec[i][j]);
223 }
224 fprintf(fp, "}\n");
225 }
226 }
227 }
228
229
pr_rvecs_of_dim(FILE * fp,int indent,const char * title,const rvec vec[],int n,int dim)230 void pr_rvecs_of_dim(FILE* fp, int indent, const char* title, const rvec vec[], int n, int dim)
231 {
232 const char* fshort = "%12.5e";
233 const char* flong = "%15.8e";
234 const char* format;
235 int i, j;
236
237 if (getenv("GMX_PRINT_LONGFORMAT") != nullptr)
238 {
239 format = flong;
240 }
241 else
242 {
243 format = fshort;
244 }
245
246 if (available(fp, vec, indent, title))
247 {
248 indent = pr_title_nxn(fp, indent, title, n, dim);
249 for (i = 0; i < n; i++)
250 {
251 pr_indent(fp, indent);
252 fprintf(fp, "%s[%5d]={", title, i);
253 for (j = 0; j < dim; j++)
254 {
255 if (j != 0)
256 {
257 fprintf(fp, ", ");
258 }
259 fprintf(fp, format, vec[i][j]);
260 }
261 fprintf(fp, "}\n");
262 }
263 }
264 }
265