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molmatch_wrapper.h
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22 
33 #ifndef __MOLMATCH_WRAPPER_H
34 #define __MOLMATCH_WRAPPER_H
35 
36 #ifdef __cplusplus
37 extern "C"
38 {
39 #endif /* __cplusplus */
40 
47  long long match_substructure(const char *smarts_pattern, const char *serializedMolecule);
48 
56  char *substructure_atom_ids(const char *smarts_pattern, const char *serializedMolecule);
57 
64  long long substructure_count(const char *smarts_pattern, const char *serializedMolecule);
65 
66 #ifdef __cplusplus
67 }
68 #endif /* __cplusplus */
69 
70 #endif /* __MOLMATCH_WRAPPER_H */
long long match_substructure(const char *smarts_pattern, const char *serializedMolecule)
Checks if a molecule is a substructure of an other molecule.
Definition: molmatch_wrapper.cpp:45
char * substructure_atom_ids(const char *smarts_pattern, const char *serializedMolecule)
Returns the atom ids of the reference molecule's atoms that are contained in substructures matching t...
Definition: molmatch_wrapper.cpp:89
long long substructure_count(const char *smarts_pattern, const char *serializedMolecule)
Returns the number of substructures within a reference structure.
Definition: molmatch_wrapper.cpp:145