7 #ifndef BALL_DOCKING_COMMON_DOCKRESULT_H
8 #define BALL_DOCKING_COMMON_DOCKRESULT_H
10 #ifndef BALL_DATATYPE_OPTIONS_H
14 #ifndef BALL_DOCKING_COMMON_CONFORMATIONSET_H
82 const String& getDockingAlgorithm()
const
87 const Options& getDockingOptions()
const
104 void sortBy(
Index scoring_index);
108 Index isSortedBy()
const
120 const vector < ConformationSet::Conformation > getScores(
Position i)
const;
134 Size numberOfScorings()
const
142 void addScoring(
const String& name,
const Options& options, vector < ConformationSet::Conformation > scores)
162 bool writeDockResult(
const String& filename)
170 bool writeDockResult(std::ostream& file)
const
179 bool readDockResult(
const String& filename)
187 bool readDockResult(std::istream& file)
227 Scoring_(
const String& name,
const Options& options,
const vector<float>& scores,
const vector<Index>& snapshot_order)
throw();