diff options
| author | Thomas White <taw@physics.org> | 2010-10-29 17:06:21 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:04 +0100 |
| commit | 9895fe095c82519dbe22b81b449731362df8c26a (patch) | |
| tree | f45283f9be9190ba364b10eea5e5c3d3dc17f847 | |
| parent | 82284b116dab90f697970f1a2b1e798f352d7bde (diff) | |
Add initial partiality estimate
| -rw-r--r-- | src/geometry.c | 40 | ||||
| -rw-r--r-- | src/image.h | 6 |
2 files changed, 40 insertions, 6 deletions
diff --git a/src/geometry.c b/src/geometry.c index 11020909..9db1f103 100644 --- a/src/geometry.c +++ b/src/geometry.c @@ -90,6 +90,29 @@ static double excitation_error(double xl, double yl, double zl, } +static double partiality(double r1, double r2, double r) +{ + double q1, q2; + double p, p1, p2; + + /* Calculate degrees of penetration */ + q1 = (r1 + r)/(2.0*r); + q2 = (r2 + r)/(2.0*r); + + if ( q1 > 1.0 ) q1 = 1.0; + if ( q1 < 0.0 ) q1 = 0.0; + if ( q2 > 1.0 ) q2 = 1.0; + if ( q2 < 0.0 ) q2 = 0.0; + + p1 = 3.0*pow(q1,2.0) - 2.0*pow(q1,3.0); + p2 = 3.0*pow(q2,2.0) - 2.0*pow(q2,3.0); + + p = fabs(p2 - p1); + + return p; +} + + struct cpeak *find_intersections(struct image *image, UnitCell *cell, int *n, int output) { @@ -104,8 +127,11 @@ struct cpeak *find_intersections(struct image *image, UnitCell *cell, double bandwidth = image->bw; double divergence = image->div; double lambda = image->lambda; - const double profile_cutoff = 0.005e9; /* 0.1 nm^-1 */ double klow, kcen, khigh; /* Wavenumber */ + /* Bounding sphere for the shape transform approximation */ + const double profile_cutoff = 0.02e9; /* 0.02 nm^-1 */ + /* Actual radius of the profile */ + const double profile_radius = 0.005e9; cpeaks = malloc(sizeof(struct cpeak)*MAX_CPEAKS); if ( cpeaks == NULL ) { @@ -138,6 +164,7 @@ struct cpeak *find_intersections(struct image *image, UnitCell *cell, signed int p; /* Panel number */ double xda, yda; /* Position on detector */ int close, inside; + double part; /* Partiality */ /* Ignore central beam */ if ( (h==0) && (k==0) && (l==0) ) continue; @@ -187,16 +214,23 @@ struct cpeak *find_intersections(struct image *image, UnitCell *cell, p = locate_peak(xl, yl, zl, kcen, image->det, &xda, &yda); if ( p == -1 ) continue; + part = partiality(rlow, rhigh, profile_radius); + + if ( part < 0.1 ) continue; + cpeaks[np].h = h; cpeaks[np].k = k; cpeaks[np].l = l; cpeaks[np].x = xda; cpeaks[np].y = yda; + cpeaks[np].r1 = rlow; + cpeaks[np].r2 = rhigh; + cpeaks[np].p = part; np++; if ( output ) { - printf("%3i %3i %3i %6f (at %5.2f,%5.2f) %9e %9e\n", - h, k, l, 0.0, xda, yda, rlow, rhigh); + printf("%3i %3i %3i %6f (at %5.2f,%5.2f) %5.2f\n", + h, k, l, 0.0, xda, yda, part); } if ( np == MAX_CPEAKS ) goto out; diff --git a/src/image.h b/src/image.h index f6cb8a58..76e986ea 100644 --- a/src/image.h +++ b/src/image.h @@ -63,9 +63,9 @@ struct cpeak double min_distance; /* Partiality */ - double r1; - double r2; - double p; + double r1; /* First excitation error */ + double r2; /* Second excitation error */ + double p; /* Partiality */ /* Location in image */ int x; |