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authorThomas White <taw@physics.org>2017-02-06 17:25:37 +0100
committerThomas White <taw@physics.org>2018-02-27 17:12:41 +0100
commit1b018a95806353cd5536b9048e58d240df2b99d9 (patch)
treebc88669d56daebb229239a61377eb19c8854c8af /src/post-refinement.c
parent7a9103aa277fd080cd0a4e43a03959ce3e5cfd40 (diff)
Remove old code (and formatting)
Diffstat (limited to 'src/post-refinement.c')
-rw-r--r--src/post-refinement.c96
1 files changed, 0 insertions, 96 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c
index f20f9832..05d7889f 100644
--- a/src/post-refinement.c
+++ b/src/post-refinement.c
@@ -78,102 +78,6 @@ const char *str_prflag(enum prflag flag)
}
-static void apply_cell_shift(UnitCell *cell, int k, double shift)
-{
- double asx, asy, asz;
- double bsx, bsy, bsz;
- double csx, csy, csz;
- double as, bs, cs;
-
- cell_get_reciprocal(cell, &asx, &asy, &asz,
- &bsx, &bsy, &bsz,
- &csx, &csy, &csz);
- as = modulus(asx, asy, asz);
- bs = modulus(bsx, bsy, bsz);
- cs = modulus(csx, csy, csz);
-
- /* Forbid any step which looks too large */
- switch ( k )
- {
- case GPARAM_ASX :
- case GPARAM_ASY :
- case GPARAM_ASZ :
- if ( fabs(shift) > 0.1*as ) return;
- break;
-
- case GPARAM_BSX :
- case GPARAM_BSY :
- case GPARAM_BSZ :
- if ( fabs(shift) > 0.1*bs ) return;
- break;
-
- case GPARAM_CSX :
- case GPARAM_CSY :
- case GPARAM_CSZ :
- if ( fabs(shift) > 0.1*cs ) return;
- break;
- }
-
- switch ( k )
- {
- case GPARAM_ASX : asx += shift; break;
- case GPARAM_ASY : asy += shift; break;
- case GPARAM_ASZ : asz += shift; break;
- case GPARAM_BSX : bsx += shift; break;
- case GPARAM_BSY : bsy += shift; break;
- case GPARAM_BSZ : bsz += shift; break;
- case GPARAM_CSX : csx += shift; break;
- case GPARAM_CSY : csy += shift; break;
- case GPARAM_CSZ : csz += shift; break;
- }
-
- cell_set_reciprocal(cell, asx, asy, asz,
- bsx, bsy, bsz,
- csx, csy, csz);
-}
-
-
-/* Apply the given shift to the 'k'th parameter of 'image'. */
-static void apply_shift(Crystal *cr, int k, double shift)
-{
- double t;
- struct image *image = crystal_get_image(cr);
-
- switch ( k ) {
-
- case GPARAM_DIV :
- if ( shift > 0.1*image->div ) return;
- image->div += shift;
- if ( image->div < 0.0 ) image->div = 0.0;
- break;
-
- case GPARAM_R :
- t = crystal_get_profile_radius(cr);
- if ( shift > 0.1*t ) return;
- t += shift;
- crystal_set_profile_radius(cr, t);
- break;
-
- case GPARAM_ASX :
- case GPARAM_ASY :
- case GPARAM_ASZ :
- case GPARAM_BSX :
- case GPARAM_BSY :
- case GPARAM_BSZ :
- case GPARAM_CSX :
- case GPARAM_CSY :
- case GPARAM_CSZ :
- apply_cell_shift(crystal_get_cell(cr), k, shift);
- break;
-
- default :
- ERROR("No shift defined for parameter %i\n", k);
- abort();
-
- }
-}
-
-
double residual(Crystal *cr, const RefList *full, int free,
int *pn_used, const char *filename)
{