diff options
| author | Thomas White <taw@physics.org> | 2017-02-07 17:11:27 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-02-27 17:12:41 +0100 |
| commit | d7974392f765b29e0d0f73cf884bb8cdc3087314 (patch) | |
| tree | 53c02e74f0a5bf1ef93047ff93942bcbe2da1c6f /libcrystfel/src/geometry.c | |
| parent | 1b018a95806353cd5536b9048e58d240df2b99d9 (diff) | |
Minimisation debug stuff
Diffstat (limited to 'libcrystfel/src/geometry.c')
| -rw-r--r-- | libcrystfel/src/geometry.c | 16 |
1 files changed, 16 insertions, 0 deletions
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c index e8e2f9ac..0694169c 100644 --- a/libcrystfel/src/geometry.c +++ b/libcrystfel/src/geometry.c @@ -618,6 +618,21 @@ static double do_integral(double q2, double zl, double R, if ( fh != NULL ) fclose(fh); + if ( isnan(total) ) { + ERROR("NaN total!\n"); + STATUS("Nominal k = %e m^-1\n", 1.0/lambda); + STATUS(" (wavelength %e m)\n", lambda); + STATUS("Bandwidth %e m\n", sig); + STATUS("k1/2 = %e m^-1\n", -q2/(2.0*zl)); + STATUS(" (wavelength %e m)\n", 1.0/(-q2/(2.0*zl))); + STATUS("Reflection k goes from %e to %e m^-1\n", k1, k0); + STATUS(" (wavelengths from %e to %e m\n", 1.0/k1, 1.0/k0); + STATUS("Beam goes from %e to %e m^-1\n", kmin, kmax); + STATUS(" (wavelengths from %e to %e m\n", 1.0/kmin, 1.0/kmax); + STATUS("Integration goes from %e to %e m^-1\n", kstart, kfinis); + STATUS(" (wavelengths from %e to %e m\n", 1.0/kstart, 1.0/kfinis); + } + return total; } @@ -686,6 +701,7 @@ 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); abort(); |