RDKit: RDKit::MolOps::AdjustQueryParameters Struct Reference

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RDKit::MolOps::AdjustQueryParameters Struct Reference

`#include <MolOps.h>`

## Public Member Functions
| AdjustQueryParameters ()

## Public Attributes
bool | adjustDegree
boost::uint32_t | adjustDegreeFlags
bool | adjustRingCount
boost::uint32_t | adjustRingCountFlags
bool | makeDummiesQueries
bool | aromatizeIfPossible
bool | makeBondsGeneric
boost::uint32_t | makeBondsGenericFlags
bool | makeAtomsGeneric
boost::uint32_t | makeAtomsGenericFlags
bool | adjustHeavyDegree
boost::uint32_t | adjustHeavyDegreeFlags

## Detailed Description

Definition at line 256 of file MolOps.h.

## Constructor & Destructor Documentation

RDKit::MolOps::AdjustQueryParameters::AdjustQueryParameters | ( |  | ) |
| inline

Definition at line 273 of file MolOps.h.

References RDKit::MolOps::adjustQueryProperties(), and RDKit::MolOps::renumberAtoms().

## Member Data Documentation

bool RDKit::MolOps::AdjustQueryParameters::adjustDegree

add degree queries

Definition at line 257 of file MolOps.h.

Referenced by RDKit::RxnOps::ChemDrawRxnAdjustParams(), RDKit::RxnOps::DefaultRxnAdjustParams(), and RDKit::RxnOps::MatchOnlyAtRgroupsAdjustParams().

boost::uint32_t RDKit::MolOps::AdjustQueryParameters::adjustDegreeFlags

Definition at line 258 of file MolOps.h.

Referenced by RDKit::RxnOps::ChemDrawRxnAdjustParams(), RDKit::RxnOps::DefaultRxnAdjustParams(), and RDKit::RxnOps::MatchOnlyAtRgroupsAdjustParams().

bool RDKit::MolOps::AdjustQueryParameters::adjustHeavyDegree

adjust the heavy-atom degree instead of overall degree

Definition at line 269 of file MolOps.h.

boost::uint32_t RDKit::MolOps::AdjustQueryParameters::adjustHeavyDegreeFlags

Definition at line 271 of file MolOps.h.

bool RDKit::MolOps::AdjustQueryParameters::adjustRingCount

add ring-count queries

Definition at line 259 of file MolOps.h.

Referenced by RDKit::RxnOps::ChemDrawRxnAdjustParams(), RDKit::RxnOps::DefaultRxnAdjustParams(), and RDKit::RxnOps::MatchOnlyAtRgroupsAdjustParams().

boost::uint32_t RDKit::MolOps::AdjustQueryParameters::adjustRingCountFlags

Definition at line 260 of file MolOps.h.

Referenced by RDKit::RxnOps::ChemDrawRxnAdjustParams(), RDKit::RxnOps::DefaultRxnAdjustParams(), and RDKit::RxnOps::MatchOnlyAtRgroupsAdjustParams().

bool RDKit::MolOps::AdjustQueryParameters::aromatizeIfPossible

Definition at line 264 of file MolOps.h.

Referenced by RDKit::RxnOps::ChemDrawRxnAdjustParams(), RDKit::RxnOps::DefaultRxnAdjustParams(), and RDKit::RxnOps::MatchOnlyAtRgroupsAdjustParams().

bool RDKit::MolOps::AdjustQueryParameters::makeAtomsGeneric

convert atoms to generic queries (any atoms)

Definition at line 267 of file MolOps.h.

boost::uint32_t RDKit::MolOps::AdjustQueryParameters::makeAtomsGenericFlags

Definition at line 268 of file MolOps.h.

bool RDKit::MolOps::AdjustQueryParameters::makeBondsGeneric

convert bonds to generic queries (any bonds)

Definition at line 265 of file MolOps.h.

boost::uint32_t RDKit::MolOps::AdjustQueryParameters::makeBondsGenericFlags

Definition at line 266 of file MolOps.h.

bool RDKit::MolOps::AdjustQueryParameters::makeDummiesQueries

convert dummy atoms without isotope labels to any-atom queries

Definition at line 262 of file MolOps.h.

Referenced by RDKit::RxnOps::ChemDrawRxnAdjustParams(), RDKit::RxnOps::DefaultRxnAdjustParams(), and RDKit::RxnOps::MatchOnlyAtRgroupsAdjustParams().

The documentation for this struct was generated from the following file:

- MolOps.h