BALL 1.5.0
sideChainPlacementProcessor.h
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1#ifndef BALL_STRUCTURE_SIDECHAINPLACEMENTPROCESSOR_H
2#define BALL_STRUCTURE_SIDECHAINPLACEMENTPROCESSOR_H
3
4#ifndef BALL_CONCEPT_PROCESSOR_H
6#endif
7
8#ifndef BALL_KERNEL_ATOMCONTAINER_H
10#endif
11
12#ifndef BALL_DATATYPE_OPTIONS_H
14#endif
15
16namespace BALL
17{
47 : public UnaryProcessor<AtomContainer>
48 {
49 public:
50
56 {
59 static const char* METHOD;
60
63 static const char* SCWRL_BINARY_PATH;
64
71 static const char* SCWRL_INPUT_FILE;
72
79 static const char* SCWRL_SEQUENCE_FILE;
80
90 static const char* SCWRL_OUTPUT_FILE;
91
94 static const char* MUTATE_SELECTED_SIDE_CHAINS;
95
96 };
97
100 {
101 static const String METHOD;
107 };
108
110 {
114 static const String SCWRL_4_0;
115 //static const String SCWRL_SERVER;
116 //static const String ILP;
117 };
118
120
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132
136
140
142 virtual bool start();
143
148 void clear();
149
164 virtual Processor::Result operator ()(AtomContainer& ac);
165
167 virtual bool finish();
168
170
174
178
181 void setMutations(String mutated_seq) {mutated_sequence_ = mutated_seq;}
182
185 const String& getMutations() const {return mutated_sequence_;}
186
189 String getMutations() {return mutated_sequence_;}
190
192
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199
201
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208
209 protected:
216
219
220 // The processor state.
221 bool valid_;
222
223 };
224
225} // namespace BALL
226
227
228#endif // BALL_STRUCTURE_SIDECHAINPLACEMENTPROCESSOR_H
Definition: constants.h:13
String mutated_sequence_
Sequence in OneLetterCode with mutated residues.
virtual bool start()
Processor method which is called before the operator()-call.
SideChainPlacementProcessor(const SideChainPlacementProcessor &scpp)
Copy Construcor.
virtual bool finish()
Processor method which is called after the operator()-call.
virtual ~SideChainPlacementProcessor()
Destructor.
SideChainPlacementProcessor()
Default Constructor.
BALL_CREATE(SideChainPlacementProcessor)
#define BALL_EXPORT
Definition: COMMON/global.h:50