diff options
Diffstat (limited to 'src/geometry.c')
| -rw-r--r-- | src/geometry.c | 26 |
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 |