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RotamerRecoveryCreator.cc
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9 
10 /// @file protocols/rotamer_recovery/RotamerRecoveryCreator.cc
11 /// @brief Creator classes for components of the RotamerRecovery framework
12 /// @author Matthew O'Meara
13 
14 // Unit Headers
16 
17 // Package Headers
31 
32 #include <utility/vector1.hh>
33 
34 // C++ Headers
35 #include <string>
36 
37 namespace protocols {
38 namespace rotamer_recovery {
39 
40 using std::string;
41 
42 /// Protocols /////
43 
44 //////////////// ReferenceStructure ///////////////////
47 ) const {
49 }
50 
51 string
53  return "RRProtocolReferenceStructure";
54 }
55 
56 //////////////// RTMin ///////////////////
59 ) const {
60  return RRProtocolOP( new RRProtocolRTMin );
61 }
62 
63 string
65  return "RRProtocolRTMin";
66 }
67 
68 //////////////// RotamerTrials ///////////////////
71 ) const {
73 }
74 
75 string
77  return "RRProtocolRotamerTrials";
78 }
79 
80 //////////////// MinPack ///////////////////
83 ) const {
84  return RRProtocolOP( new RRProtocolMinPack );
85 }
86 
87 string
89  return "RRProtocolMinPack";
90 }
91 
92 //////////////// PackRotamers ///////////////////
95 ) const {
97 }
98 
99 string
101  return "RRProtocolPackRotamers";
102 }
103 
104 //////////////// Relax ///////////////////
107 ) const {
108  return RRProtocolOP( new RRProtocolRelax );
109 }
110 
111 string
113  return "RRProtocolRelax";
114 }
115 
116 //////////////// Mover ///////////////////
117 string
119  return "RRProtocolMover";
120 }
121 
124 ) const {
125  return RRProtocolOP( new RRProtocolMover );
126 }
127 
128 /// Protocols /////
129 //////////////// AutomorphicRMSD ///////////////////
132 ) const {
134 }
135 
136 string
138  return "RRComparerAutomorphicRMSD";
139 }
140 
141 
142 //////////////// RotBins ///////////////////
145 ) const {
146  return RRComparerOP( new RRComparerRotBins );
147 }
148 
149 string
151  return "RRComparerRotBins";
152 }
153 
154 //////////////// ChiDiff ///////////////////
157 ) const {
158  return RRComparerOP( new RRComparerChiDiff );
159 }
160 
161 string
163  return "RRComparerChiDiff";
164 }
165 
166 //////////////// ElecDensDiff ///////////////////
169 ) const {
170  return RRComparerOP( new RRComparerElecDensDiff );
171 }
172 
173 string
175  return "RRComparerElecDensDiff";
176 }
177 
178 //////////////// Simple ///////////////////
181 ) const {
182  return RRReporterOP( new RRReporterSimple );
183 }
184 
185 string
187  return "RRReporterSimple";
188 }
189 
190 
191 //// Reporters ////
192 //////////////// Human ///////////////////
195 ) const {
196  return RRReporterOP( new RRReporterHuman );
197 }
198 
199 string
201  return "RRReporterHuman";
202 }
203 
204 //////////////// SQLite ///////////////////
207 ) const {
208  return RRReporterOP( new RRReporterSQLite );
209 }
210 
211 string
213  return "RRReporterSQLite";
214 }
215 
216 } //namespace features
217 } //namespace protocols
Preform the rotamer recovery after applying mover.
Preform the rotamer recovery against a reference structure.
RRComparerOP create_comparer() const
Protocols ///// ///////////// AutomorphicRMSD ///////////////////.
The reporting functionality for the rotamer recovery test in a human readable format.
core::Real rotamer_recovery(Pose &pose, Pose &ref_pose, core::Real difference)
Percentage of rotamers recovered.
Definition: util.cc:88
utility::pointer::shared_ptr< RRProtocol > RRProtocolOP
utility::pointer::shared_ptr< RRComparer > RRComparerOP
utility::pointer::shared_ptr< RRReporter > RRReporterOP