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 #pragma once
11 #include <vector>
12 #include <stdexcept>
13
14 namespace RDKit {
15 namespace FMCS {
16 template <typename T>
17 class TArray2D { // for scalar value types ! including bool with special STL
18 // implementation (no reference to item - bitset used)
19 size_t XSize;
20 size_t YSize;
21 std::vector<T> Data;
22
23 public:
24 inline TArray2D(size_t cy = 0, size_t cx = 0)
25 : XSize(cx), YSize(cy), Data(cx * cy) {}
26 inline size_t getXSize() const { return XSize; }
27 inline size_t getYSize() const { return YSize; }
28 inline bool empty() const { return Data.empty(); }
29 inline void clear() {
30 Data.clear();
31 XSize = 0;
32 YSize = 0;
33 }
34 inline void resize(size_t cy, size_t cx) {
35 Data.resize(cx * cy);
36 XSize = cx;
37 YSize = cy;
38 }
39 inline void set(size_t row, size_t col, T val) {
40 Data[row * XSize + col] = val;
41 }
42 inline T at(size_t row, size_t col) { return Data[row * XSize + col]; }
43 inline T at(size_t row, size_t col) const { return Data[row * XSize + col]; }
44 };
45
46 typedef TArray2D<bool> MatchTable; // row is index in QueryMolecule
47 }
48 }
RDKit::FMCS::MatchTable
TArray2D< bool > MatchTable
Definition: MatchTable.h:46
RDKit::FMCS::TArray2D::at
T at(size_t row, size_t col) const
Definition: MatchTable.h:43
RDKit::FMCS::TArray2D
Definition: MatchTable.h:17
RDKit::FMCS::TArray2D::clear
void clear()
Definition: MatchTable.h:29
RDKit::FMCS::TArray2D::set
void set(size_t row, size_t col, T val)
Definition: MatchTable.h:39
RDKit::FMCS::TArray2D::empty
bool empty() const
Definition: MatchTable.h:28
RDKit::FMCS::TArray2D::TArray2D
TArray2D(size_t cy=0, size_t cx=0)
Definition: MatchTable.h:24
RDKit
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
RDKit::FMCS::TArray2D::getYSize
size_t getYSize() const
Definition: MatchTable.h:27
RDKit::FMCS::TArray2D::getXSize
size_t getXSize() const
Definition: MatchTable.h:26
RDKit::FMCS::TArray2D::resize
void resize(size_t cy, size_t cx)
Definition: MatchTable.h:34
RDKit::FMCS::TArray2D::at
T at(size_t row, size_t col)
Definition: MatchTable.h:42