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authorThomas White <taw@physics.org>2017-10-25 16:26:58 +0200
committerThomas White <taw@physics.org>2018-02-27 17:12:41 +0100
commit3d72da334021b426710cf214001a19c54358170c (patch)
tree64e1473ede23e18dcb338cf408394366d411d096 /libcrystfel/src/geometry.c
parent827c3a1a6bdc5680e240cf49e379c868d17c3e47 (diff)
do_integral(): Take part of the filename as input for debug
Diffstat (limited to 'libcrystfel/src/geometry.c')
-rw-r--r--libcrystfel/src/geometry.c16
1 files changed, 10 insertions, 6 deletions
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c
index 7f5e8635..20084476 100644
--- a/libcrystfel/src/geometry.c
+++ b/libcrystfel/src/geometry.c
@@ -512,7 +512,7 @@ static void set_random_partialities(Crystal *cryst)
static double do_integral(double q2, double zl, double R,
- double lambda, double sig, int verbose)
+ double lambda, double sig, char *verbose)
{
int i;
double kmin, kmax, kstart, kfinis;
@@ -578,7 +578,7 @@ static double do_integral(double q2, double zl, double R,
if ( verbose ) {
char fn[64];
- snprintf(fn, 63, "partial%i.graph", verbose);
+ snprintf(fn, 63, "partial%s.graph", verbose);
fh = fopen(fn, "w");
fprintf(fh, " n p wavelength E P\n");
STATUS("Nominal k = %e m^-1\n", 1.0/lambda);
@@ -695,8 +695,12 @@ static void ginn_spectrum_partialities(Crystal *cryst)
R = r0 + m * sqrt(q2);
- total = do_integral(q2, zl, R, lambda, sig, 0);
- norm = do_integral(q2, -0.5*q2*lambda, R, lambda, sig, 0);
+ //char tmp[256];
+ //snprintf(tmp, 255, "-%i,%i,%i", h, k, l);
+ char *tmp = NULL;
+
+ total = do_integral(q2, zl, R, lambda, sig, tmp);
+ norm = do_integral(q2, -0.5*q2*lambda, R, lambda, sig, NULL);
set_partiality(refl, total/norm);
set_lorentz(refl, 1.0);
@@ -704,8 +708,8 @@ static void ginn_spectrum_partialities(Crystal *cryst)
if ( total > 2.0*norm ) {
/* Error! */
STATUS("total > 2*norm!\n");
- do_integral(q2, zl, R, lambda, sig, 1);
- do_integral(q2, -0.5*q2*lambda, R, lambda, sig, 2);
+ do_integral(q2, zl, R, lambda, sig, NULL);
+ do_integral(q2, -0.5*q2*lambda, R, lambda, sig, NULL);
abort();
}