RDKit
Open-source cheminformatics and machine learning.
MatchTable.h
Go to the documentation of this file.
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//
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// Copyright (C) 2014 Novartis Institutes for BioMedical Research
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include <
RDGeneral/export.h
>
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#pragma once
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#include <vector>
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#include <stdexcept>
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namespace
RDKit
{
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namespace
FMCS {
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template
<
typename
T>
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class
RDKIT_FMCS_EXPORT
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TArray2D
{
// for scalar value types ! including bool with special STL
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// implementation (no reference to item - bitset used)
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size_t
XSize;
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size_t
YSize;
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std::vector<T> Data;
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public
:
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inline
TArray2D
(
size_t
cy = 0,
size_t
cx = 0)
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: XSize(cx), YSize(cy), Data(cx * cy) {}
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inline
size_t
getXSize
()
const
{
return
XSize; }
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inline
size_t
getYSize
()
const
{
return
YSize; }
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inline
bool
empty
()
const
{
return
Data.empty(); }
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inline
void
clear
() {
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Data.clear();
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XSize = 0;
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YSize = 0;
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}
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inline
void
resize
(
size_t
cy,
size_t
cx) {
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Data.resize(cx * cy);
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XSize = cx;
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YSize = cy;
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}
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inline
void
set
(
size_t
row,
size_t
col, T val) {
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Data[row * XSize + col] = val;
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}
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inline
T
at
(
size_t
row,
size_t
col) {
return
Data[row * XSize + col]; }
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inline
T
at
(
size_t
row,
size_t
col)
const
{
return
Data[row * XSize + col]; }
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};
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typedef
TArray2D<bool>
MatchTable
;
// row is index in QueryMolecule
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}
// namespace FMCS
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}
// namespace RDKit
RDKit::FMCS::TArray2D::set
void set(size_t row, size_t col, T val)
Definition:
MatchTable.h:41
RDKit::FMCS::TArray2D::resize
void resize(size_t cy, size_t cx)
Definition:
MatchTable.h:36
RDKit::FMCS::MatchTable
TArray2D< bool > MatchTable
Definition:
MatchTable.h:48
RDKit::FMCS::TArray2D::getYSize
size_t getYSize() const
Definition:
MatchTable.h:29
RDKit::FMCS::TArray2D::at
T at(size_t row, size_t col) const
Definition:
MatchTable.h:45
RDKit::FMCS::TArray2D::clear
void clear()
Definition:
MatchTable.h:31
RDKit::FMCS::TArray2D::TArray2D
TArray2D(size_t cy=0, size_t cx=0)
Definition:
MatchTable.h:26
RDKit
Std stuff.
Definition:
Atom.h:30
RDKit::FMCS::TArray2D::at
T at(size_t row, size_t col)
Definition:
MatchTable.h:44
RDKIT_FMCS_EXPORT
#define RDKIT_FMCS_EXPORT
Definition:
export.h:203
RDKit::FMCS::TArray2D
Definition:
MatchTable.h:18
RDKit::FMCS::TArray2D::getXSize
size_t getXSize() const
Definition:
MatchTable.h:28
RDKit::FMCS::TArray2D::empty
bool empty() const
Definition:
MatchTable.h:30
export.h
GraphMol
FMCS
MatchTable.h
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