| Geant4 Cross Reference |
1 //
2 // ********************************************************************
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4 // * *
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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 PDBatom.cc
37 /// \brief Implementation of the PDBatom class
38
39 #include "PDBatom.hh"
40
41 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
42
43 Atom::Atom(int s, const std::string& n, const std::string& rN, int numInRes, int rS, double xInit,
44 double yInit, double zInit, double radius, double o, double tF, const std::string& e)
45 {
46 fSerial = s;
47 fName = n; //!< Atom name
48 fResName = rN; //!< Residue name
49 fNumInRes = numInRes;
50 fResSeq = rS; //!< Residue sequence number
51 fX = xInit;
52 fY = yInit;
53 fZ = zInit;
54 fVdwRadius = radius;
55 fOccupancy = o; //!< occupancy
56 fTempFactor = tF;
57 fElement = e;
58 fpNext = 0;
59 }
60
61 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
62
63 Atom* Atom::GetNext()
64 {
65 return fpNext;
66 }
67
68 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
69
70 double Atom::GetX()
71 {
72 return fX;
73 }
74
75 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
76
77 double Atom::GetY()
78 {
79 return fY;
80 }
81
82 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
83
84 double Atom::GetZ()
85 {
86 return fZ;
87 }
88
89 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
90
91 int Atom::GetID()
92 {
93 return fSerial;
94 }
95
96 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
97
98 const std::string& Atom::GetName()
99 {
100 return fName;
101 }
102
103 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
104
105 const std::string& Atom::GetElementName()
106 {
107 return fElement;
108 }
109
110 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
111
112 double Atom::GetVanDerWaalsRadius()
113 {
114 return fVdwRadius;
115 }
116
117 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
118
119 void Atom::SetNext(Atom* AtomNext)
120 {
121 fpNext = AtomNext;
122 }
123