| Geant4 Cross Reference |
1 //
2 // ********************************************************************
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14 // * regarding this software system or assume any liability for its *
15 // * use. Please see the license in the file LICENSE and URL above *
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18 // * This code implementation is the result of the scientific and *
19 // * technical work of the GEANT4 collaboration. *
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24 // ********************************************************************
25 //
26 // This example is provided by the Geant4-DNA collaboration
27 // Any report or published results obtained using the Geant4-DNA software
28 // shall cite the following Geant4-DNA collaboration publication:
29 // Med. Phys. 37 (2010) 4692-4708
30 // Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
31 // Bank (PDB) description for Geant4-DNA Monte-Carlo
32 // simulations (submitted to Comput. Phys. Commun.)
33 // The Geant4-DNA web site is available at http://geant4-dna.org
34 //
35 //
36 /// \file PDBmolecule.cc
37 /// \brief Implementation file for PDBmolecule class
38
39 #include "PDBmolecule.hh"
40
41 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
42
43 Molecule::Molecule()
44 : fMolName(""),
45 fMolNum(0),
46 fMinGlobZ(0),
47 fMaxGlobZ(0),
48 fMinGlobX(0),
49 fMaxGlobX(0),
50 fMinGlobY(0),
51 fMaxGlobY(0),
52 fCenterX(0),
53 fCenterY(0),
54 fCenterZ(0),
55 fDistCenterMax(0),
56 fNbResidue(0),
57 fpNext(0),
58 fpFirst(0)
59 {}
60
61 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
62
63 Molecule::Molecule(const std::string& mN, int mNum)
64 {
65 fMolName = mN; // Molecule name
66 fMolNum = mNum; // Molecule number
67 fMinGlobZ = 0;
68 fMaxGlobZ = 0;
69 fMinGlobX = 0;
70 fMaxGlobX = 0;
71 fMinGlobY = 0;
72 fMaxGlobY = 0;
73 fCenterX = 0;
74 fCenterY = 0;
75 fCenterZ = 0;
76 fDistCenterMax = 0;
77 fNbResidue = 0;
78 fpNext = 0;
79 fpFirst = 0;
80 }
81
82 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
83
84 Molecule* Molecule::GetNext()
85 {
86 return fpNext;
87 }
88
89 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
90
91 Residue* Molecule::GetFirst()
92 {
93 return fpFirst;
94 }
95
96 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
97
98 int Molecule::GetID()
99 {
100 return fMolNum;
101 }
102
103 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
104
105 void Molecule::SetNext(Molecule* moleculeNext)
106 {
107 fpNext = moleculeNext;
108 }
109
110 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
111
112 void Molecule::SetFirst(Residue* resFirst)
113 {
114 fpFirst = resFirst;
115 }
116