RDKit: MatchTable.h Source File

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MatchTable.h
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1//
2// Copyright (C) 2014 Novartis Institutes for BioMedical Research
3//
4// @@ All Rights Reserved @@
5// This file is part of the RDKit.
6// The contents are covered by the terms of the BSD license
7// which is included in the file license.txt, found at the root
8// of the RDKit source tree.
9//
10#include <RDGeneral/export.h>
11#pragma once
12#include <vector>
13#include <stdexcept>
14
15namespace RDKit {
16namespace FMCS {
17template <typename T>
18 class RDKIT_FMCS_EXPORT
19 TArray2D { // for scalar value types ! including bool with special STL
20 // implementation (no reference to item - bitset used)
21 size_t XSize;
22 size_t YSize;
23 std::vector<T> Data;
24
25 public:
26 inline TArray2D(size_t cy = 0, size_t cx = 0)
27 : XSize(cx), YSize(cy), Data(cx * cy) {}
28 inline size_t getXSize() const { return XSize; }
29 inline size_t getYSize() const { return YSize; }
30 inline bool empty() const { return Data.empty(); }
31 inline void clear() {
32 Data.clear();
33 XSize = 0;
34 YSize = 0;
35 }
36 inline void resize(size_t cy, size_t cx) {
37 Data.resize(cx * cy);
38 XSize = cx;
39 YSize = cy;
40 }
41 inline void set(size_t row, size_t col, T val) {
42 Data[row * XSize + col] = val;
43 }
44 inline T at(size_t row, size_t col) { return Data[row * XSize + col]; }
45 inline T at(size_t row, size_t col) const { return Data[row * XSize + col]; }
46};
47
48 typedef TArray2D<bool> MatchTable; // row is index in QueryMolecule
49} // namespace FMCS
50} // namespace RDKit
RDKit::FMCS::TArray2D
Definition MatchTable.h:19
RDKit::FMCS::TArray2D::getYSize
size_t getYSize() const
Definition MatchTable.h:29
RDKit::FMCS::TArray2D::set
void set(size_t row, size_t col, T val)
Definition MatchTable.h:41
RDKit::FMCS::TArray2D::at
T at(size_t row, size_t col) const
Definition MatchTable.h:45
RDKit::FMCS::TArray2D::empty
bool empty() const
Definition MatchTable.h:30
RDKit::FMCS::TArray2D::TArray2D
TArray2D(size_t cy=0, size_t cx=0)
Definition MatchTable.h:26
RDKit::FMCS::TArray2D::clear
void clear()
Definition MatchTable.h:31
RDKit::FMCS::TArray2D::at
T at(size_t row, size_t col)
Definition MatchTable.h:44
RDKit::FMCS::TArray2D::resize
void resize(size_t cy, size_t cx)
Definition MatchTable.h:36
RDKit::FMCS::TArray2D::getXSize
size_t getXSize() const
Definition MatchTable.h:28
export.h
RDKIT_FMCS_EXPORT
#define RDKIT_FMCS_EXPORT
Definition export.h:169
RDKit::FMCS
Definition Composition2N.h:13
RDKit::FMCS::MatchTable
TArray2D< bool > MatchTable
Definition MatchTable.h:48
RDKit
Std stuff.
Definition Abbreviations.h:19