Move load_molecule to sfac

1 files changed, 22 insertions, 0 deletions

diff --git a/src/sfac.h b/src/sfac.h
index afa84f84..81b90234 100644
--- a/src/sfac.h
+++ b/src/sfac.h
@@ -18,6 +18,28 @@
 
 #include <complex.h>
 
+
+struct mol_species
+{
+	char species[4];    /* Species name */
+	int n_atoms;        /* Number of atoms of this species */
+
+	float x[32*1024];
+	float y[32*1024];
+	float z[32*1024];
+	float occ[32*1024];
+	float B[32*1024];
+};
+
+
+struct molecule
+{
+	int n_species;
+	struct mol_species *species[32];
+};
+
+
 extern double complex get_sfac(const char *n, double s, double en);
+extern struct molecule *load_molecule(void);
 
 #endif	/* SFAC_H */