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authorThomas White <taw@physics.org>2014-09-30 16:58:29 +0200
committerThomas White <taw@physics.org>2014-09-30 16:58:29 +0200
commit015ffcd77acc4b7f3178753b21e6591fd8212e4c (patch)
tree45f96bce23cb229067bfaf97434b9fd621b695ee /libcrystfel/src/reflist.c
parentb57deca8061316d2fc09dedcf8a91fa7523f081f (diff)
Cell vector gradients for SCSphere, plus general rationalisation
Diffstat (limited to 'libcrystfel/src/reflist.c')
-rw-r--r--libcrystfel/src/reflist.c37
1 files changed, 13 insertions, 24 deletions
diff --git a/libcrystfel/src/reflist.c b/libcrystfel/src/reflist.c
index afc76caa..33c1f948 100644
--- a/libcrystfel/src/reflist.c
+++ b/libcrystfel/src/reflist.c
@@ -67,12 +67,10 @@ struct _refldata {
signed int ls;
/* Partiality and related geometrical stuff */
- double r1; /* First excitation error */
- double r2; /* Second excitation error */
+ double rlow; /* Low excitation error */
+ double rhigh; /* High excitation error */
double p; /* Partiality */
double L; /* Lorentz factor */
- int clamp1; /* Clamp status for r1 */
- int clamp2; /* Clamp status for r2 */
/* Location in image */
double fs;
@@ -424,24 +422,20 @@ double get_intensity(const Reflection *refl)
/**
* get_partial:
* @refl: A %Reflection
- * @r1: Location at which to store the first excitation error
- * @r2: Location at which to store the second excitation error
+ * @rlow: Location at which to store the "low" excitation error
+ * @rhigh: Location at which to store the "high" excitation error
* @p: Location at which to store the partiality
- * @clamp_low: Location at which to store the first clamp status
- * @clamp_high: Location at which to store the second clamp status
*
* This function is used during post refinement (in conjunction with
* set_partial()) to get access to the details of the partiality calculation.
*
**/
-void get_partial(const Reflection *refl, double *r1, double *r2, double *p,
- int *clamp_low, int *clamp_high)
+void get_partial(const Reflection *refl, double *rlow, double *rhigh,
+ double *p)
{
- *r1 = refl->data.r1;
- *r2 = refl->data.r2;
+ *rlow = refl->data.rlow;
+ *rhigh = refl->data.rhigh;
*p = get_partiality(refl);
- *clamp_low = refl->data.clamp1;
- *clamp_high = refl->data.clamp2;
}
@@ -592,24 +586,19 @@ void set_detector_pos(Reflection *refl, double exerr, double fs, double ss)
/**
* set_partial:
* @refl: A %Reflection
- * @r1: The first excitation error
- * @r2: The second excitation error
+ * @rlow: The "low" excitation error
+ * @rhigh: The "high" excitation error
* @p: The partiality
- * @clamp_low: The first clamp status
- * @clamp_high: The second clamp status
*
* This function is used during post refinement (in conjunction with
* get_partial()) to get access to the details of the partiality calculation.
*
**/
-void set_partial(Reflection *refl, double r1, double r2, double p,
- double clamp_low, double clamp_high)
+void set_partial(Reflection *refl, double rlow, double rhigh, double p)
{
- refl->data.r1 = r1;
- refl->data.r2 = r2;
+ refl->data.rlow = rlow;
+ refl->data.rhigh = rhigh;
refl->data.p = p;
- refl->data.clamp1 = clamp_low;
- refl->data.clamp2 = clamp_high;
}