BALL  1.5.0
defaultProcessors.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 
5 #ifndef BALL_STRUCTURE_DEFAULTPROCESSORS_H
6 #define BALL_STRUCTURE_DEFAULTPROCESSORS_H
7 
8 #ifndef BALL_COMMON_H
9 # include <BALL/common.h>
10 #endif
11 
12 #ifndef BALL_KERNEL_atom_H
13 # include <BALL/KERNEL/atom.h>
14 #endif
15 
16 #ifndef BALL_MATHS_VECTOR3_H
17 # include <BALL/MATHS/vector3.h>
18 #endif
19 
20 #ifndef BALL_CONCEPT_PROCESSOR_H
21 # include <BALL/CONCEPT/processor.h>
22 #endif
23 
24 #ifndef BALL_DATATYPE_STRINGHASHMAP_H
26 #endif
27 
28 namespace BALL
29 {
34  : public UnaryProcessor<Atom>
35  {
36  public:
37 
39  virtual Processor::Result operator()(Atom& atom);
40  };
41 
42 
47  : public UnaryProcessor<Atom>
48  {
49  public:
50 
52  virtual Processor::Result operator()(Atom& atom);
53  };
54 
55 
63  : public UnaryProcessor<Atom>
64  {
65  public:
66 
69 
73  AssignRadiusProcessor(const String& filename);
74 
80  virtual bool start();
81 
85  virtual bool finish();
86 
102  virtual Processor::Result operator()(Atom& atom);
103 
107  void setFilename(const String& filename);
108 
111  String& getFilename();
112 
115  Size getNumberOfAssignments();
116 
121  Size getNumberOfErrors();
122 
123 
124  protected:
125 
129  bool buildTable_();
130 
135  };
136 
137 
145  : public AssignRadiusProcessor
146  {
147  public:
148 
151 
155  AssignChargeProcessor(const String& filename);
156 
162  virtual bool start();
163 
168  virtual Processor::Result operator () (Atom& atom);
169 
172  float getTotalCharge();
173 
174 
175  protected:
176 
178  };
179 
180 
181 } // namespace BALL
182 
183 #endif // BALL_STRUCTURE_DEFAULTPROCESSORS_H
BALL::ClearChargeProcessor
Definition: defaultProcessors.h:33
vector3.h
BALL::Atom
Definition: atom.h:87
stringHashMap.h
BALL::AssignRadiusProcessor
Definition: defaultProcessors.h:62
BALL::AssignRadiusProcessor::number_of_errors_
Size number_of_errors_
Definition: defaultProcessors.h:133
BALL::String
Definition: string.h:56
BALL
Definition: constants.h:12
BALL::AssignRadiusProcessor::number_of_assignments_
Size number_of_assignments_
Definition: defaultProcessors.h:134
BALL::StringHashMap< float >
BALL_SIZE_TYPE
BALL::UnaryProcessor
Definition: processor.h:58
BALL::AssignRadiusProcessor::table_
StringHashMap< float > table_
Definition: defaultProcessors.h:132
BALL::AssignChargeProcessor
Definition: defaultProcessors.h:144
atom.h
processor.h
common.h
BALL::Processor::Result
int Result
Definition: processor.h:36
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::ClearRadiusProcessor
Definition: defaultProcessors.h:46
BALL::AssignRadiusProcessor::filename_
String filename_
Definition: defaultProcessors.h:131
BALL::AssignChargeProcessor::total_charge_
float total_charge_
Definition: defaultProcessors.h:177