diff options
author | Thomas White <taw27@cam.ac.uk> | 2008-10-02 22:07:25 +0100 |
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committer | Thomas White <taw27@cam.ac.uk> | 2008-10-02 22:07:25 +0100 |
commit | 27d9bd723dfb48e097b412402d207c856a643bd9 (patch) | |
tree | 9fcc99bcd2f279f52fd6e181e5dbc9858033ea55 | |
parent | 74177a1ca0a321fb1c3ac732cc3e2a80a25788c6 (diff) |
Test confidence before refinement
-rw-r--r-- | src/refine.c | 63 |
1 files changed, 63 insertions, 0 deletions
diff --git a/src/refine.c b/src/refine.c index 5d1b59a..08408ac 100644 --- a/src/refine.c +++ b/src/refine.c @@ -188,6 +188,66 @@ static void refine_cell_delta(Basis *devcell_try, int comp) { } +static void refine_test_confidence(Deviation *d, int nf) { + + Basis *devcell; + double val, new_val; + + printf("Testing confidence...\n"); + + devcell = malloc(sizeof(Basis)); + devcell->a.x = 0.0e9; devcell->b.x = 0.0e9; devcell->c.x = 0.0e9; + devcell->a.y = 0.0e9; devcell->b.y = 0.0e9; devcell->c.y = 0.0e9; + devcell->a.z = 0.0e9; devcell->b.z = 0.0e9; devcell->c.z = 0.0e9; + val = refine_mean_dev(d, nf, devcell, 0); + + devcell->a.x = 1.0e9; + new_val = refine_mean_dev(d, nf, devcell, 0); + printf("ax: %10.8f\n", (new_val - val)/DISPFACTOR); + devcell->a.x = 0.0; + + devcell->a.y = 1.0e9; + new_val = refine_mean_dev(d, nf, devcell, 0); + printf("ay: %10.8f\n", (new_val - val)/DISPFACTOR); + devcell->a.y = 0.0; + + devcell->a.z = 1.0e9; + new_val = refine_mean_dev(d, nf, devcell, 0); + printf("az: %10.8f\n", (new_val - val)/DISPFACTOR); + devcell->a.z = 0.0; + + devcell->b.x = 1.0e9; + new_val = refine_mean_dev(d, nf, devcell, 0); + printf("bx: %10.8f\n", (new_val - val)/DISPFACTOR); + devcell->b.x = 0.0; + + devcell->b.y = 1.0e9; + new_val = refine_mean_dev(d, nf, devcell, 0); + printf("by: %10.8f\n", (new_val - val)/DISPFACTOR); + devcell->b.y = 0.0; + + devcell->b.z = 1.0e9; + new_val = refine_mean_dev(d, nf, devcell, 0); + printf("bz: %10.8f\n", (new_val - val)/DISPFACTOR); + devcell->b.z = 0.0; + + devcell->c.x = 1.0e9; + new_val = refine_mean_dev(d, nf, devcell, 0); + printf("cx: %10.8f\n", (new_val - val)/DISPFACTOR); + devcell->c.x = 0.0; + + devcell->c.y = 1.0e9; + new_val = refine_mean_dev(d, nf, devcell, 0); + printf("cy: %10.8f\n", (new_val - val)/DISPFACTOR); + devcell->c.y = 0.0; + + devcell->c.z = 1.0e9; + new_val = refine_mean_dev(d, nf, devcell, 0); + printf("cz: %10.8f\n", (new_val - val)/DISPFACTOR); + devcell->c.z = 0.0; + +} + double refine_do_cell(ControlContext *ctx) { Deviation *d; @@ -304,6 +364,9 @@ double refine_do_cell(ControlContext *ctx) { printf("Initial mean deviation: %13.8f nm^1\n", mean_dev/DISPFACTOR); #endif /* REFINE_DEBUG */ + /* Test confidence */ + refine_test_confidence(d, nf); + /* Determine direction of steepest gradient */ devcell_try = malloc(sizeof(Basis)); devcell_try_best = malloc(sizeof(Basis)); |