From 27d9bd723dfb48e097b412402d207c856a643bd9 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 2 Oct 2008 22:07:25 +0100 Subject: Test confidence before refinement --- src/refine.c | 63 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 63 insertions(+) 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)); -- cgit v1.2.3