RDKit
Open-source cheminformatics and machine learning.
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 
15 namespace RDKit {
16 namespace FMCS {
17 template <typename T>
18 class RDKIT_FMCS_EXPORT TArray2D { // for scalar value types ! including bool with special STL
19  // implementation (no reference to item - bitset used)
20  size_t XSize;
21  size_t YSize;
22  std::vector<T> Data;
23 
24  public:
25  inline TArray2D(size_t cy = 0, size_t cx = 0)
26  : XSize(cx), YSize(cy), Data(cx * cy) {}
27  inline size_t getXSize() const { return XSize; }
28  inline size_t getYSize() const { return YSize; }
29  inline bool empty() const { return Data.empty(); }
30  inline void clear() {
31  Data.clear();
32  XSize = 0;
33  YSize = 0;
34  }
35  inline void resize(size_t cy, size_t cx) {
36  Data.resize(cx * cy);
37  XSize = cx;
38  YSize = cy;
39  }
40  inline void set(size_t row, size_t col, T val) {
41  Data[row * XSize + col] = val;
42  }
43  inline T at(size_t row, size_t col) { return Data[row * XSize + col]; }
44  inline T at(size_t row, size_t col) const { return Data[row * XSize + col]; }
45 };
46 
47 typedef TArray2D<bool> MatchTable; // row is index in QueryMolecule
48 }
49 }
TArray2D< bool > MatchTable
Definition: MatchTable.h:47
#define RDKIT_FMCS_EXPORT
Definition: export.h:190
size_t getYSize() const
Definition: MatchTable.h:28
size_t getXSize() const
Definition: MatchTable.h:27
TArray2D(size_t cy=0, size_t cx=0)
Definition: MatchTable.h:25
bool empty() const
Definition: MatchTable.h:29
Std stuff.
Definition: Atom.h:30
T at(size_t row, size_t col) const
Definition: MatchTable.h:44
void resize(size_t cy, size_t cx)
Definition: MatchTable.h:35
T at(size_t row, size_t col)
Definition: MatchTable.h:43