BALL 1.5.0
flexDefinition.h
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1// ----------------------------------------------------
2// $Maintainer: Marc Röttig $
3// $Authors: Marc Röttig $
4// ----------------------------------------------------
5
6#ifndef BALL_DOCKING_COMMON_FLEXDEFINITION_H
7#define BALL_DOCKING_COMMON_FLEXDEFINITION_H
8
10
11namespace BALL
12{
18 {
19 public:
20
22 {
23 DUNBRACK = 0,
24 LOVELL
25 };
26
30
32
33
36
39 virtual ~FlexDefinition();
40
44 void addFullyFlexibleResidue(Position idx);
45
49 vector<Position> getFullyFlexibleResidues() const;
50
54 void addRotamerFlexibleResidue(Position idx);
55
59 vector<Position> getRotamerFlexibleResidues() const;
60
61 private:
62 vector<Position> fully_flexible_;
63 vector<Position> rotamer_flexible_;
64 };
65}
66
67#endif /* BALL_DOCKING_COMMON_FLEXDEFINITION_H */
#define BALL_CREATE(name)
Definition: create.h:62
Definition: constants.h:13
static FlexDefinition Rigid()
#define BALL_EXPORT
Definition: COMMON/global.h:50