diff options
author | Thomas White <taw@physics.org> | 2017-02-06 17:25:37 +0100 |
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committer | Thomas White <taw@physics.org> | 2018-02-27 17:12:41 +0100 |
commit | 1b018a95806353cd5536b9048e58d240df2b99d9 (patch) | |
tree | bc88669d56daebb229239a61377eb19c8854c8af /src/post-refinement.c | |
parent | 7a9103aa277fd080cd0a4e43a03959ce3e5cfd40 (diff) |
Remove old code (and formatting)
Diffstat (limited to 'src/post-refinement.c')
-rw-r--r-- | src/post-refinement.c | 96 |
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) { |