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conversion_wrapper.h
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21 
31 #ifndef __CONVERSION_WRAPPER_H
32 #define __CONVERSION_WRAPPER_H
33 
34 #include <mychem/structures.h>
35 
36 #ifdef __cplusplus
37 extern "C"
38 {
39 #endif /* __cplusplus */
40 
48  char *conversion(const char *molecule, const char *in_type, const char *out_type);
49 
55  char *V3000conversion(const char *V3000);
56 
62  char *conversionV3000(const char *molecule);
63 
69  char *CMLconversion(const char *cml);
70 
76  char *conversionCML(const char *molecule);
77 
84  char *conversionFPT(const char *molecule, const char *type);
85 
91  char *conversionCAN(const char *molecule);
92 
98  char *serializeMolecule(const char *molecule);
99 
100 #ifdef __cplusplus
101 }
102 #endif /* __cplusplus */
103 
104 #endif /* __CONVERSION_WRAPPER_H */
105 
char * conversionCML(const char *molecule)
Converts a molecule to a cml molecule.
Definition: conversion_wrapper.cpp:206
char * conversion(const char *molecule, const char *in_type, const char *out_type)
Converts a file format to an other.
Definition: conversion_wrapper.cpp:54
char * serializeMolecule(const char *molecule)
Converts a molecule to a 1D serialized OBMol object.
Definition: conversion_wrapper.cpp:322
char * conversionV3000(const char *molecule)
Converts a molecule to a V3000 molfile.
Definition: conversion_wrapper.cpp:96
Mychem structure file.
char * conversionCAN(const char *molecule)
Converts a molecule to a canonical SMILES.
Definition: conversion_wrapper.cpp:287
char * conversionFPT(const char *molecule, const char *type)
Converts a molecule to a fingerprint.
Definition: conversion_wrapper.cpp:239
char * V3000conversion(const char *V3000)
Converts a V3000 molecule to the default molecule type.
Definition: conversion_wrapper.cpp:139
char * CMLconversion(const char *cml)
Converts a cml molecule to the default molecule type.
Definition: conversion_wrapper.cpp:174