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00036 #ifndef __CCP4_SPG__
00037 #define __CCP4_SPG__
00038
00039 #ifdef __cplusplus
00040 namespace CSym {
00041 extern "C" {
00042 #endif
00043
00048 typedef struct ccp4_symop_
00049 {
00050 float rot[3][3];
00051 float trn[3];
00052 } ccp4_symop;
00058 typedef struct ccp4_spacegroup_
00059 {
00060 int spg_num;
00061 int spg_ccp4_num;
00062 char symbol_Hall[40];
00063 char symbol_xHM[20];
00064 char symbol_old[20];
00066 char point_group[20];
00067 char crystal[20];
00069 int nlaue;
00070 char laue_name[20];
00071 int laue_sampling[3];
00073 int npatt;
00074 char patt_name[40];
00076 int nsymop;
00077 int nsymop_prim;
00078 ccp4_symop *symop;
00079 ccp4_symop *invsymop;
00081 float chb[3][3];
00083 char asu_descr[80];
00084 int (*asufn)(const int, const int, const int);
00086 int centrics[12];
00087 int epsilon[13];
00089 char mapasu_zero_descr[80];
00090 float mapasu_zero[3];
00092 char mapasu_ccp4_descr[80];
00093 float mapasu_ccp4[3];
00095 } CCP4SPG;
00097 #ifdef __cplusplus
00098 } }
00099 #endif
00100
00101 #endif
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