1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
|
/* -------------------------------------------------------------------------- *
* MMB (MacroMoleculeBuilder) *
* -------------------------------------------------------------------------- *
* *
* Copyright (c) 2011-12 by the Author. *
* Author: Samuel Flores *
* *
* See RNABuilder.cpp for the copyright and usage agreement. *
* -------------------------------------------------------------------------- */
#ifndef NTC_Class_Container_H_
#define NTC_Class_Container_H_
#include "Utils.h"
class BiopolymerClassContainer;
class NTC_PAR_Class;
class MMB_EXPORT NTC_Class_Container {
public:
void clear() ;
void generateAorBFormNtCs(BiopolymerClassContainer &myBiopolymerClassContainer, const String &chainID, ResidueID firstResidue, ResidueID lastResidue, double myNTCWeight, const NTC_PAR_Class &ntc_par_class);
void add_NTC_Class(BiopolymerClassContainer & myBiopolymerClassContainer,
const NTC_PAR_Class & ntc_par_class, const String &myChain,
const ResidueID firstNtCResidueInStretch, const ResidueID lastNtCResidueInStretch,
const String &NtCClassString, const double myNtCWeight, const bool myMeta, const double myNtCWeight2);
void add_NTC_Class(BiopolymerClassContainer & myBiopolymerClassContainer,
const NTC_PAR_Class & ntc_par_class, NTC_Classes & NTC);
void validate_NTC_Class(BiopolymerClassContainer & myBiopolymerClassContainer,
const NTC_PAR_Class & ntc_par_class, NTC_Classes & NTC,
const String &dihedraltype);
int numNTC_Torsions();
const NTC_Classes & getNTC_Class(int NTC_Class_Index);
vector<NTC_Classes> myNTC_Class_Vector;
private:
void initMolmodelAtomIndices(BiopolymerClassContainer &container, const NTC_PAR_Class &ntcPars, NTC_Classes &ntc);
};
#endif
|
