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/*
A* -------------------------------------------------------------------
B* This file contains source code for the PyMOL computer program
C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific.
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* -------------------------------------------------------------------
*/
#include <unordered_map>
#include"os_predef.h"
#include"SculptCache.h"
struct SculptCacheKey {
int rest_type;
int id0, id1, id2, id3;
bool operator==(const SculptCacheKey& other) const noexcept
{
return rest_type == other.rest_type && id0 == other.id0 &&
id1 == other.id1 && id2 == other.id2 && id3 == other.id3;
}
struct Hash {
size_t operator()(const SculptCacheKey& key) const noexcept
{
// Notes: id0 - id3 are unique atom indices which for typical use cases
// (sculpting of small systems) don't exceed 16bit. Also, id2 is zero
// for distance restraints, and id3 is zero for distance and angle
// restraints. rest_type is currently <= 10.
constexpr auto N = sizeof(size_t);
return size_t(key.id0) << (4 * N) ^ size_t(key.id1) ^
size_t(key.id2) << (6 * N) ^ size_t(key.id3) << (2 * N) ^
size_t(key.id2) >> (2 * N) ^ size_t(key.rest_type) << (3 * N);
}
};
};
struct _CSculptCache {
std::unordered_map<SculptCacheKey, float, SculptCacheKey::Hash> m_data;
};
int SculptCacheInit(PyMOLGlobals * G)
{
G->SculptCache = new CSculptCache();
return 1;
}
void SculptCachePurge(PyMOLGlobals * G)
{
CSculptCache *I = G->SculptCache;
I->m_data.clear();
}
void SculptCacheFree(PyMOLGlobals * G)
{
delete G->SculptCache;
G->SculptCache = nullptr;
}
int SculptCacheQuery(PyMOLGlobals * G, int rest_type, int id0, int id1, int id2, int id3,
float *value)
{
CSculptCache *I = G->SculptCache;
SculptCacheKey key = {rest_type, id0, id1, id2, id3};
auto it = I->m_data.find(key);
if (it != I->m_data.end()) {
*value = it->second;
return true;
}
return false;
}
void SculptCacheStore(PyMOLGlobals * G, int rest_type, int id0, int id1, int id2, int id3,
float value)
{
CSculptCache *I = G->SculptCache;
SculptCacheKey key = {rest_type, id0, id1, id2, id3};
I->m_data[key] = value;
}
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