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authorThomas White <taw@physics.org>2010-11-22 12:02:18 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:06 +0100
commitab2bc310e5b4285b1e7482662b679d39c45ea86d (patch)
tree17399b0964ad15fe73bfb0f90fbcd35468616f42 /src/geometry.c
parent95588bbf411aa46473ad098125a65012f2df68fc (diff)
Remove "profile_cutoff" (for now)
Diffstat (limited to 'src/geometry.c')
-rw-r--r--src/geometry.c26
1 files changed, 12 insertions, 14 deletions
diff --git a/src/geometry.c b/src/geometry.c
index 09544120..326f2f5c 100644
--- a/src/geometry.c
+++ b/src/geometry.c
@@ -137,8 +137,6 @@ static int check_reflection(struct image *image, double mres, int output,
double divergence = image->div;
double lambda = image->lambda;
double klow, kcen, khigh; /* Wavenumber */
- /* Bounding sphere for the shape transform approximation */
- const double profile_cutoff = 0.02e9; /* 0.02 nm^-1 */
/* "low" gives the largest Ewald sphere,
* "high" gives the smallest Ewald sphere. */
@@ -148,8 +146,8 @@ static int check_reflection(struct image *image, double mres, int output,
/* Get the coordinates of the reciprocal lattice point */
zl = h*asz + k*bsz + l*csz;
- /* Throw out if it's "in front" */
- if ( zl > profile_cutoff ) return 0;
+ /* Throw out if it's "in front". A tiny bit "in front" is OK. */
+ if ( zl > image->profile_radius ) return 0;
xl = h*asx + k*bsx + l*csx;
yl = h*asy + k*bsy + l*csy;
@@ -164,8 +162,8 @@ static int check_reflection(struct image *image, double mres, int output,
/* Is the reciprocal lattice point close to either extreme of
* the sphere, maybe just outside the "Ewald volume"? */
- close = (fabs(rlow) < profile_cutoff)
- || (fabs(rhigh) < profile_cutoff);
+ close = (fabs(rlow) < image->profile_radius)
+ || (fabs(rhigh) < image->profile_radius);
/* Is the reciprocal lattice point somewhere between the
* extremes of the sphere, i.e. inside the "Ewald volume"? */
@@ -180,21 +178,21 @@ static int check_reflection(struct image *image, double mres, int output,
/* If the "lower" Ewald sphere is a long way away, use the
* position at which the Ewald sphere would just touch the
* reflection. */
- if ( rlow < -profile_cutoff ) {
- rlow = -profile_cutoff;
+ if ( rlow < -image->profile_radius ) {
+ rlow = -image->profile_radius;
clamp_low = -1;
}
- if ( rlow > +profile_cutoff ) {
- rlow = +profile_cutoff;
+ if ( rlow > +image->profile_radius ) {
+ rlow = +image->profile_radius;
clamp_low = +1;
}
/* Likewise the "higher" Ewald sphere */
- if ( rhigh < -profile_cutoff ) {
- rhigh = -profile_cutoff;
+ if ( rhigh < -image->profile_radius ) {
+ rhigh = -image->profile_radius;
clamp_high = -1;
}
- if ( rhigh > +profile_cutoff ) {
- rhigh = +profile_cutoff;
+ if ( rhigh > +image->profile_radius ) {
+ rhigh = +image->profile_radius;
clamp_high = +1;
}
/* The six possible combinations of clamp_{low,high} (including