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-rw-r--r--src/cell.c37
-rw-r--r--src/cell.h2
-rw-r--r--src/index.c7
-rw-r--r--src/index.h2
-rw-r--r--src/indexamajig.c7
5 files changed, 38 insertions, 17 deletions
diff --git a/src/cell.c b/src/cell.c
index c6d64af0..889f9576 100644
--- a/src/cell.c
+++ b/src/cell.c
@@ -383,7 +383,7 @@ static int same_vector(struct cvec a, struct cvec b)
/* Attempt to make 'cell' fit into 'template' somehow */
-UnitCell *match_cell(UnitCell *cell, UnitCell *template)
+UnitCell *match_cell(UnitCell *cell, UnitCell *template, int verbose)
{
signed int n1l, n2l, n3l;
double asx, asy, asz;
@@ -399,9 +399,13 @@ UnitCell *match_cell(UnitCell *cell, UnitCell *template)
float angtol = deg2rad(5.0);
UnitCell *new_cell = NULL;
- STATUS("Matching with this model cell: ----------------------------\n");
- cell_print(template);
- STATUS("-----------------------------------------------------------\n");
+ if ( verbose ) {
+ STATUS("Matching with this model cell: "
+ "----------------------------\n");
+ cell_print(template);
+ STATUS("-------------------------------"
+ "----------------------------\n");
+ }
cell_get_reciprocal(template, &asx, &asy, &asz,
&bsx, &bsy, &bsz,
@@ -414,8 +418,11 @@ UnitCell *match_cell(UnitCell *cell, UnitCell *template)
angles[0] = angle_between(bsx, bsy, bsz, csx, csy, csz);
angles[1] = angle_between(asx, asy, asz, csx, csy, csz);
angles[2] = angle_between(asx, asy, asz, bsx, bsy, bsz);
- STATUS("Looking for %f %f %f\n", rad2deg(angles[0]), rad2deg(angles[1]),
- rad2deg(angles[2]));
+ if ( verbose ) {
+ STATUS("Looking for %f %f %f\n", rad2deg(angles[0]),
+ rad2deg(angles[1]),
+ rad2deg(angles[2]));
+ }
cand[0] = malloc(MAX_CAND*sizeof(struct cvec));
cand[1] = malloc(MAX_CAND*sizeof(struct cvec));
@@ -477,7 +484,9 @@ UnitCell *match_cell(UnitCell *cell, UnitCell *template)
}
}
- STATUS("Candidates: %i %i %i\n", ncand[0], ncand[1], ncand[2]);
+ if ( verbose ) {
+ STATUS("Candidates: %i %i %i\n", ncand[0], ncand[1], ncand[2]);
+ }
for ( i=0; i<ncand[0]; i++ ) {
for ( j=0; j<ncand[1]; j++ ) {
@@ -495,8 +504,10 @@ UnitCell *match_cell(UnitCell *cell, UnitCell *template)
/* Angle between axes 0 and 1 should be angle 2 */
if ( fabs(ang - angles[2]) > angtol ) continue;
- STATUS("Matched %i-%i (0-1 %f deg)\n", i, j, rad2deg(ang));
-
+ if ( verbose ) {
+ STATUS("Matched %i-%i (0-1 %f deg)\n", i, j,
+ rad2deg(ang));
+ }
for ( k=0; k<ncand[2]; k++ ) {
if ( same_vector(cand[1][j], cand[2][k]) ) continue;
@@ -510,7 +521,9 @@ UnitCell *match_cell(UnitCell *cell, UnitCell *template)
/* ... it should be angle 1 ... */
if ( fabs(ang - angles[1]) > angtol ) continue;
- STATUS("0-2 %f\n", rad2deg(ang));
+ if ( verbose ) {
+ STATUS("0-2 %f\n", rad2deg(ang));
+ }
/* Finally, the angle between the current candidate for
* axis 1 and the kth candidate for axis 2 */
@@ -519,7 +532,9 @@ UnitCell *match_cell(UnitCell *cell, UnitCell *template)
cand[2][k].vec.v, cand[2][k].vec.w);
/* ... it should be angle 0 ... */
- STATUS("1-2 %f\n", rad2deg(ang));
+ if ( verbose ) {
+ STATUS("1-2 %f\n", rad2deg(ang));
+ }
if ( fabs(ang - angles[0]) > angtol ) continue;
new_cell = cell_new_from_axes(cand[0][i].vec,
diff --git a/src/cell.h b/src/cell.h
index db5cab0b..4c74b283 100644
--- a/src/cell.h
+++ b/src/cell.h
@@ -74,6 +74,6 @@ extern double resolution(UnitCell *cell,
extern void cell_print(UnitCell *cell);
-extern UnitCell *match_cell(UnitCell *cell, UnitCell *template);
+extern UnitCell *match_cell(UnitCell *cell, UnitCell *template, int verbose);
#endif /* CELL_H */
diff --git a/src/index.c b/src/index.c
index 865715c2..470d9e4c 100644
--- a/src/index.c
+++ b/src/index.c
@@ -60,7 +60,8 @@ static void write_drx(struct image *image)
}
-void index_pattern(struct image *image, IndexingMethod indm, int no_match)
+void index_pattern(struct image *image, IndexingMethod indm, int no_match,
+ int verbose)
{
int i;
UnitCell *new_cell = NULL;
@@ -92,7 +93,7 @@ void index_pattern(struct image *image, IndexingMethod indm, int no_match)
if ( image->indexed_cell == NULL ) {
STATUS("No cell found.\n");
return;
- } else {
+ } else if ( verbose ) {
STATUS("--------------------\n");
STATUS("The indexed cell (before matching):\n");
cell_print(image->indexed_cell);
@@ -101,7 +102,7 @@ void index_pattern(struct image *image, IndexingMethod indm, int no_match)
if ( !no_match ) {
new_cell = match_cell(image->indexed_cell,
- image->molecule->cell);
+ image->molecule->cell, verbose);
free(image->indexed_cell);
image->indexed_cell = new_cell;
}
diff --git a/src/index.h b/src/index.h
index 429e5ec8..26ce1c44 100644
--- a/src/index.h
+++ b/src/index.h
@@ -26,6 +26,6 @@ typedef enum {
extern void index_pattern(struct image *image, IndexingMethod indm,
- int no_match);
+ int no_match, int verbose);
#endif /* INDEX_H */
diff --git a/src/indexamajig.c b/src/indexamajig.c
index 22bc2ea4..e42991c4 100644
--- a/src/indexamajig.c
+++ b/src/indexamajig.c
@@ -47,6 +47,8 @@ static void show_help(const char *s)
" --indexing=<method> Use 'method' for indexing. Choose from:\n"
" none : no indexing\n"
" dirax : invoke DirAx\n"
+"\n"
+" --verbose Be verbose about indexing.\n"
" --write-drx Write 'xfel.drx' for visualisation of reciprocal\n"
" space. Implied by any indexing method other than\n"
" 'none'.\n"
@@ -81,6 +83,7 @@ int main(int argc, char *argv[])
int config_clean = 0;
int config_nomatch = 0;
int config_gpu = 0;
+ int config_verbose = 0;
IndexingMethod indm;
char *indm_str = NULL;
@@ -97,6 +100,7 @@ int main(int argc, char *argv[])
{"simulate", 0, &config_simulate, 1},
{"clean-image", 0, &config_clean, 1},
{"no-match", 0, &config_nomatch, 1},
+ {"verbose", 0, &config_verbose, 1},
{0, 0, NULL, 0}
};
@@ -210,7 +214,8 @@ int main(int argc, char *argv[])
/* Calculate orientation matrix (by magic) */
if ( config_writedrx || (indm != INDEXING_NONE) ) {
- index_pattern(&image, indm, config_nomatch);
+ index_pattern(&image, indm, config_nomatch,
+ config_verbose);
}
/* No cell at this point? Then we're done. */
generated by cgit v1.2.3 (git 2.25.1) at 2024-11-16 10:48:39 +0000