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-rw-r--r--tests/centering_check.c93
1 files changed, 51 insertions, 42 deletions
diff --git a/tests/centering_check.c b/tests/centering_check.c
index f4073072..887311dd 100644
--- a/tests/centering_check.c
+++ b/tests/centering_check.c
@@ -3,7 +3,11 @@
*
* Check that centering of cells works
*
- * Copyright © 2012 Thomas White <taw@physics.org>
+ * Copyright © 2012-2014 Deutsches Elektronen-Synchrotron DESY,
+ * a research centre of the Helmholtz Association.
+ *
+ * Authors:
+ * 2012-2014 Thomas White <taw@physics.org>
*
* This file is part of CrystFEL.
*
@@ -53,7 +57,7 @@ static int check_cell(UnitCell *cell, const char *text)
static int check_centering(double a, double b, double c,
double al, double be, double ga,
- LatticeType latt, char cen, char ua)
+ LatticeType latt, char cen, char ua, gsl_rng *rng)
{
UnitCell *cell, *cref;
UnitCell *n;
@@ -77,7 +81,7 @@ static int check_centering(double a, double b, double c,
cell_set_centering(cref, cen);
cell_set_unique_axis(cref, ua);
- cell = cell_rotate(cref, random_quaternion());
+ cell = cell_rotate(cref, random_quaternion(rng));
if ( cell == NULL ) return 1;
cell_free(cref);
@@ -110,9 +114,9 @@ static int check_centering(double a, double b, double c,
do {
- h = flat_noise(0, 30);
- k = flat_noise(0, 30);
- l = flat_noise(0, 30);
+ h = gsl_rng_uniform_int(rng, 30);
+ k = gsl_rng_uniform_int(rng, 30);
+ l = gsl_rng_uniform_int(rng, 30);
} while ( forbidden_reflection(cell, h, k, l) );
@@ -156,9 +160,9 @@ static int check_centering(double a, double b, double c,
int f = 0;
long int ih, ik, il;
- h = flat_noise(0, 30);
- k = flat_noise(0, 30);
- l = flat_noise(0, 30);
+ h = gsl_rng_uniform_int(rng, 30);
+ k = gsl_rng_uniform_int(rng, 30);
+ l = gsl_rng_uniform_int(rng, 30);
x = h*asx + k*bsx + l*csx;
y = h*asy + k*bsy + l*csy;
@@ -199,110 +203,115 @@ static int check_centering(double a, double b, double c,
int main(int argc, char *argv[])
{
int fail = 0;
+ gsl_rng *rng;
+
+ rng = gsl_rng_alloc(gsl_rng_mt19937);
/* Triclinic P */
fail += check_centering(50e-10, 55e-10, 70e-10, 67.0, 70.0, 77.0,
- L_TRICLINIC, 'P', '*');
+ L_TRICLINIC, 'P', '*', rng);
/* Monoclinic P */
fail += check_centering(10e-10, 20e-10, 30e-10, 100.0, 90.0, 90.0,
- L_MONOCLINIC, 'P', 'a');
+ L_MONOCLINIC, 'P', 'a', rng);
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 100.0, 90.0,
- L_MONOCLINIC, 'P', 'b');
+ L_MONOCLINIC, 'P', 'b', rng);
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 100.0,
- L_MONOCLINIC, 'P', 'c');
+ L_MONOCLINIC, 'P', 'c', rng);
/* Monoclinic "C"-centered, unique axis a, three cell choices */
fail += check_centering(10e-10, 20e-10, 30e-10, 100.0, 90.0, 90.0,
- L_MONOCLINIC, 'B', 'a');
+ L_MONOCLINIC, 'B', 'a', rng);
fail += check_centering(10e-10, 20e-10, 30e-10, 100.0, 90.0, 90.0,
- L_MONOCLINIC, 'C', 'a');
+ L_MONOCLINIC, 'C', 'a', rng);
fail += check_centering(10e-10, 20e-10, 30e-10, 100.0, 90.0, 90.0,
- L_MONOCLINIC, 'I', 'a');
+ L_MONOCLINIC, 'I', 'a', rng);
/* Monoclinic "C"-centered, unique axis b, three cell choices */
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 100.0, 90.0,
- L_MONOCLINIC, 'C', 'b');
+ L_MONOCLINIC, 'C', 'b', rng);
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 100.0, 90.0,
- L_MONOCLINIC, 'A', 'b');
+ L_MONOCLINIC, 'A', 'b', rng);
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 100.0, 90.0,
- L_MONOCLINIC, 'I', 'b');
+ L_MONOCLINIC, 'I', 'b', rng);
/* Monoclinic "C"-centered, unique axis c, three cell choices */
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 100.0,
- L_MONOCLINIC, 'A', 'c');
+ L_MONOCLINIC, 'A', 'c', rng);
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 100.0,
- L_MONOCLINIC, 'B', 'c');
+ L_MONOCLINIC, 'B', 'c', rng);
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 100.0,
- L_MONOCLINIC, 'I', 'c');
+ L_MONOCLINIC, 'I', 'c', rng);
/* Orthorhombic P */
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 90.0,
- L_ORTHORHOMBIC, 'P', '*');
+ L_ORTHORHOMBIC, 'P', '*', rng);
/* Orthorhombic A */
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 90.0,
- L_ORTHORHOMBIC, 'A', '*');
+ L_ORTHORHOMBIC, 'A', '*', rng);
/* Orthorhombic B */
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 90.0,
- L_ORTHORHOMBIC, 'B', '*');
+ L_ORTHORHOMBIC, 'B', '*', rng);
/* Orthorhombic C */
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 90.0,
- L_ORTHORHOMBIC, 'C', '*');
+ L_ORTHORHOMBIC, 'C', '*', rng);
/* Orthorhombic I */
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 90.0,
- L_ORTHORHOMBIC, 'I', '*');
+ L_ORTHORHOMBIC, 'I', '*', rng);
/* Orthorhombic F */
fail += check_centering(10e-10, 20e-10, 30e-10, 90.0, 90.0, 90.0,
- L_ORTHORHOMBIC, 'F', '*');
+ L_ORTHORHOMBIC, 'F', '*', rng);
/* Tetragonal P */
fail += check_centering(10e-10, 30e-10, 30e-10, 90.0, 90.0, 90.0,
- L_TETRAGONAL, 'P', 'a');
+ L_TETRAGONAL, 'P', 'a', rng);
fail += check_centering(30e-10, 10e-10, 30e-10, 90.0, 90.0, 90.0,
- L_TETRAGONAL, 'P', 'b');
+ L_TETRAGONAL, 'P', 'b', rng);
fail += check_centering(30e-10, 30e-10, 10e-10, 90.0, 90.0, 90.0,
- L_TETRAGONAL, 'P', 'c');
+ L_TETRAGONAL, 'P', 'c', rng);
/* Tetragonal I */
fail += check_centering(10e-10, 30e-10, 30e-10, 90.0, 90.0, 90.0,
- L_TETRAGONAL, 'I', 'a');
+ L_TETRAGONAL, 'I', 'a', rng);
fail += check_centering(30e-10, 10e-10, 30e-10, 90.0, 90.0, 90.0,
- L_TETRAGONAL, 'I', 'b');
+ L_TETRAGONAL, 'I', 'b', rng);
fail += check_centering(30e-10, 30e-10, 10e-10, 90.0, 90.0, 90.0,
- L_TETRAGONAL, 'I', 'c');
+ L_TETRAGONAL, 'I', 'c', rng);
/* Rhombohedral R */
fail += check_centering(10e-10, 10e-10, 10e-10, 60.0, 60.0, 60.0,
- L_RHOMBOHEDRAL, 'R', '*');
+ L_RHOMBOHEDRAL, 'R', '*', rng);
/* Hexagonal P */
fail += check_centering(30e-10, 10e-10, 10e-10, 120.0, 90.0, 90.0,
- L_HEXAGONAL, 'P', 'a');
+ L_HEXAGONAL, 'P', 'a', rng);
fail += check_centering(10e-10, 30e-10, 10e-10, 90.0, 120.0, 90.0,
- L_HEXAGONAL, 'P', 'b');
+ L_HEXAGONAL, 'P', 'b', rng);
fail += check_centering(10e-10, 10e-10, 30e-10, 90.0, 90.0, 120.0,
- L_HEXAGONAL, 'P', 'c');
+ L_HEXAGONAL, 'P', 'c', rng);
/* Hexagonal H (PDB-speak for rhombohedral) */
fail += check_centering(20e-10, 20e-10, 40e-10, 90.0, 90.0, 120.0,
- L_HEXAGONAL, 'H', 'c');
+ L_HEXAGONAL, 'H', 'c', rng);
/* Cubic P */
fail += check_centering(30e-10, 30e-10, 30e-10, 90.0, 90.0, 90.0,
- L_CUBIC, 'P', '*');
+ L_CUBIC, 'P', '*', rng);
/* Cubic I */
fail += check_centering(30e-10, 30e-10, 30e-10, 90.0, 90.0, 90.0,
- L_CUBIC, 'I', '*');
+ L_CUBIC, 'I', '*', rng);
/* Cubic F */
fail += check_centering(30e-10, 30e-10, 30e-10, 90.0, 90.0, 90.0,
- L_CUBIC, 'F', '*');
+ L_CUBIC, 'F', '*', rng);
+
+ gsl_rng_free(rng);
return fail;
}
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