Go to the documentation of this file.
6 #ifndef BALL_DOCKING_RESULT_H
7 #define BALL_DOCKING_RESULT_H
122 const vector <
String > * getInputConformations();
164 void add(const
String& lig_conf_in, const
String& lig_conf_out,
int scoringmethod,
double energy, const
String& rec_conf);
185 void sort(const list<
String>& input_order, list<
String>& output_order);
187 void setTimestamp(const
String& timestamp);
195 void setToolInfo(const
String& toolinfo);
void setConformation(Conformation *conf)
static Result * makeRescoringResult()
void setLigandConformation(Conformation *conf)
static Result * makeLigandImportResult()
HashMap class based on the STL map (containing serveral convenience functions)
void setScoringMethod(int method)
void setLigandConformationId(String id)
void setReceptorConformationId(String id)
static Result * makeReceptorImportResult()
bool hasLigandConformationId() const
ResultData(int result_type)
bool hasReceptorConformationId() const
String getLigandConformationId() const
void setReceptorConformation(Conformation *conf)
String getReceptorConformationId() const
static Result::Method getMethod(int i)
static Result * makeDockingResult()
#define BALL_CREATE(name)
int getScoringMethod() const
Conformation * getConformation()
bool hasScoringMethod() const