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>
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::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