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RDKit
Open-source cheminformatics and machine learning.
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#include <Deprotect.h>
Public Member Functions | |
DeprotectData (const std::string &deprotection_class, const std::string &reaction_smarts, const std::string &abbrevition, const std::string &full_name, const std::string &example="") | |
bool | operator== (const DeprotectData &other) const |
bool | isValid () const |
Returns true if the deprotection is valid. More... | |
Public Attributes | |
std::string | deprotection_class |
std::string | reaction_smarts |
std::string | abbreviation |
std::string | full_name |
std::string | example |
std::shared_ptr< ChemicalReaction > | rxn |
Data for Deprotecting molecules
Deprotects are described as reactions that remove the protecting group and leave behind the group being protected.
Each DeprotectData has the following attributes:
Definition at line 38 of file Deprotect.h.
RDKit::Deprotect::DeprotectData::DeprotectData | ( | const std::string & | deprotection_class, |
const std::string & | reaction_smarts, | ||
const std::string & | abbrevition, | ||
const std::string & | full_name, | ||
const std::string & | example = "" |
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inline |
Returns true if the deprotection is valid.
Definition at line 63 of file Deprotect.h.
Referenced by operator==().
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inline |
Definition at line 54 of file Deprotect.h.
References abbreviation, deprotection_class, full_name, isValid(), and reaction_smarts.
std::string RDKit::Deprotect::DeprotectData::abbreviation |
Definition at line 41 of file Deprotect.h.
Referenced by operator==().
std::string RDKit::Deprotect::DeprotectData::deprotection_class |
Definition at line 39 of file Deprotect.h.
Referenced by operator==().
std::string RDKit::Deprotect::DeprotectData::example |
Definition at line 43 of file Deprotect.h.
std::string RDKit::Deprotect::DeprotectData::full_name |
Definition at line 42 of file Deprotect.h.
Referenced by operator==().
std::string RDKit::Deprotect::DeprotectData::reaction_smarts |
Definition at line 40 of file Deprotect.h.
Referenced by operator==().
std::shared_ptr<ChemicalReaction> RDKit::Deprotect::DeprotectData::rxn |
Definition at line 46 of file Deprotect.h.