1 files changed, 33 insertions, 0 deletions
diff --git a/src/elements.h b/src/elements.h
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index 0000000..525e399
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+++ b/src/elements.h
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+/*
+ * elements.c
+ *
+ * Elemental Data
+ *
+ * (c) 2006-2007 Thomas White <taw27@cam.ac.uk>
+ *
+ *  synth2D - Two-Dimensional Crystallographic Fourier Synthesis
+ *
+ */
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+#ifndef ELEMENTS_H
+#define ELEMENTS_H
+
+typedef struct {
+	char *element_name;
+	unsigned int z;
+	/* Units of Angstroms and Degrees */
+	double sfac_a1; double sfac_b1; double sfac_a2; double sfac_b2;
+	double sfac_a3; double sfac_b3; double sfac_a4; double sfac_b4;
+	double sfac_c;
+} Element;
+extern Element elements[255];
+
+extern void elements_initialise(void);
+extern unsigned int elements_lookup(const char *name);
+
+#endif	/* ELEMENTS_H */
+