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/*
A* -------------------------------------------------------------------
B* This file contains source code for the PyMOL computer program
C* copyright Schrodinger, LLC.
D* -------------------------------------------------------------------
E* It is unlawful to modify or remove this copyright notice.
F* -------------------------------------------------------------------
G* Please see the accompanying LICENSE file for further information.
H* -------------------------------------------------------------------
I* Additional authors of this source file include:
-*
-*
-*
Z* -------------------------------------------------------------------
*/
#ifndef _H_BondTypeHistory
#define _H_BondTypeHistory
#include"AtomInfo.h"
#include"SymOp.h"
typedef struct BondType_1_7_6 {
int index[2];
int order;
int id;
int unique_id;
int temp1;
short int stereo; /* to preserve 2D rep */
short int has_setting; /* setting based on unique_id */
int oldid;
} BondType_1_7_6;
typedef struct BondType_1_7_7 {
int index[2];
int id;
int unique_id;
int oldid;
signed char order; // 0-4
signed char temp1; // bool? where used?
signed char stereo; // 0-6 Only for SDF (MOL) format in/out
bool has_setting; /* setting based on unique_id */
} BondType_1_7_7;
/*
* This is not identical to the 1.8.2 BondType, it's missing all members
* which are not relevant or unsupported with pse_binary_dump (oldid, temp1)
*/
struct BondType_1_8_1 {
int index[2];
union {
int id;
pymol::SymOp symop_2;
};
int unique_id;
signed char order; // 0-4
signed char stereo; // 0-6 Only for SDF (MOL) format in/out
bool has_setting; /* setting based on unique_id */
};
static_assert(sizeof(pymol::SymOp) == 4,
"Changing SymOp layout requires a backwards "
"compatibility strategy for pse_binary_dump");
static_assert(sizeof(BondType_1_8_1) == 20,
"pse_binary_dump not compatible with this platform");
void Copy_Into_BondType_From_Version(const void *binstr, int bondInfo_version, BondType *Bond, int NBond);
void *Copy_To_BondType_Version(int bondInfo_version, BondType *Bond, int NBond);
#endif
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