From 189da15810deabd739d7c11c6e95fea55739fe60 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Sat, 1 Aug 2020 15:13:49 +0200 Subject: Initial import from archive --- src/elements.h | 33 +++++++++++++++++++++++++++++++++ 1 file changed, 33 insertions(+) create mode 100644 src/elements.h (limited to 'src/elements.h') diff --git a/src/elements.h b/src/elements.h new file mode 100644 index 0000000..525e399 --- /dev/null +++ b/src/elements.h @@ -0,0 +1,33 @@ +/* + * elements.c + * + * Elemental Data + * + * (c) 2006-2007 Thomas White + * + * synth2D - Two-Dimensional Crystallographic Fourier Synthesis + * + */ + +#ifdef HAVE_CONFIG_H +#include +#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 */ + -- cgit v1.2.3