BALL 1.5.0
analyticalSES.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4
5#ifndef BALL_STRUCTURE_ANALYTICALSES_H
6#define BALL_STRUCTURE_ANALYTICALSES_H
7
8#ifndef BALL_COMMON_H
9# include <BALL/common.h>
10#endif
11
12namespace BALL
13{
14 // forward declarations
15 class Atom;
16 class AtomContainer;
17 template <typename Key, typename Value>
18 class HashMap;
19
31 (const AtomContainer& fragment, HashMap<const Atom*,float>& atom_areas, float probe_radius = 1.5);
32
43 (const AtomContainer& fragment, float probe_radius = 1.5);
44
55 (const AtomContainer& fragment, float probe_radius = 1.5);
56} // namespace BALL
57
58#endif // BALL_STRUCTURE_ANALYTICALSES_H
BALL_EXPORT float calculateSESVolume(const AtomContainer &fragment, float probe_radius=1.5)
BALL_EXPORT float calculateSESArea(const AtomContainer &fragment, float probe_radius=1.5)
BALL_EXPORT float calculateSESAtomAreas(const AtomContainer &fragment, HashMap< const Atom *, float > &atom_areas, float probe_radius=1.5)
Definition: constants.h:13
char Atom[5]
Definition: PDBdefs.h:257
#define BALL_EXPORT
Definition: COMMON/global.h:50