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modification_wrapper.h
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21 
31 #ifndef __MODIFICATION_WRAPPER_H
32 #define __MODIFICATION_WRAPPER_H
33 
34 #ifdef __cplusplus
35 extern "C"
36 {
37 #endif /* __cplusplus */
38 
44  char *ob_add_hydrogens(const char *molecule);
45 
51  char *ob_remove_hydrogens(const char *molecule);
52 
58  char *ob_strip_salts(const char *molecule);
59 
60 #ifdef __cplusplus
61 }
62 #endif /* __cplusplus */
63 
64 #endif /* __MODIFICATION_WRAPPER_H */
65 
char * ob_strip_salts(const char *molecule)
Removes all atoms except for the larger contiguous fragment.
Definition: modification_wrapper.cpp:102
char * ob_add_hydrogens(const char *molecule)
Adds the hydrogen atoms of a molecule.
Definition: modification_wrapper.cpp:43
char * ob_remove_hydrogens(const char *molecule)
Removes the hydrogen atoms of a molecule.
Definition: modification_wrapper.cpp:73