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authorThomas White <taw@physics.org>2011-03-16 14:17:40 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:20 +0100
commit193c900d095203fb74671abc1e0b52f0b1d6d62a (patch)
treead7e47c009e36359e56ed7502e09d724141f81e4 /src/sfac.h
parent5508edc241f17a6a395abb9978070d84921f8480 (diff)
Remove all remaining PDB rendering stuff
Diffstat (limited to 'src/sfac.h')
-rw-r--r--src/sfac.h64
1 files changed, 0 insertions, 64 deletions
diff --git a/src/sfac.h b/src/sfac.h
deleted file mode 100644
index e05b3ddf..00000000
--- a/src/sfac.h
+++ /dev/null
@@ -1,64 +0,0 @@
-/*
- * sfac.h
- *
- * Scattering factors
- *
- * (c) 2006-2010 Thomas White <taw@physics.org>
- *
- * Part of CrystFEL - crystallography with a FEL
- *
- */
-
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-
-#ifndef SFAC_H
-#define SFAC_H
-
-#include <complex.h>
-
-#include "cell.h"
-#include "utils.h"
-
-
-#define MAX_ATOMS (128*1024)
-
-
-struct mol_species
-{
- char species[4]; /* Species name */
- int n_atoms; /* Number of atoms of this species */
-
- double x[MAX_ATOMS];
- double y[MAX_ATOMS];
- double z[MAX_ATOMS];
- double occ[MAX_ATOMS];
- double B[MAX_ATOMS];
-};
-
-
-struct molecule
-{
- int n_species;
- struct mol_species *species[32];
-
- /* Unit cell */
- UnitCell *cell;
-
- /* Reflection intensities at Bragg positions */
- double complex *reflections;
-
- /* Offset to molecule's centre of scattering power */
- double xc;
- double yc;
- double zc;
-};
-
-extern struct molecule *load_molecule(const char *filename);
-extern void free_molecule(struct molecule *mol);
-extern double *get_reflections(struct molecule *mol, double en, double res,
- double *phases, ReflItemList *items);
-
-
-#endif /* SFAC_H */