16#ifndef _RBTANNOTATION_H_
17#define _RBTANNOTATION_H_
19#include "rxdock/Atom.h"
20#include "rxdock/Config.h"
22#include <nlohmann/json.hpp>
24using json = nlohmann::json;
36 friend void to_json(json &j,
const Annotation &annotation);
37 friend void from_json(
const json &j,
Annotation &annotation);
43 const Atom *GetAtom1Ptr()
const;
44 const Atom *GetAtom2Ptr()
const;
45 double GetDistance()
const;
46 double GetScore()
const;
48 std::string GetFQResName()
const;
51 void SetAtom1Ptr(
const Atom *pAt1);
52 void SetAtom2Ptr(
const Atom *pAt2);
53 void SetDistance(
double d);
54 void SetScore(
double s);
57 std::string Render()
const;
94typedef std::vector<AnnotationPtr> AnnotationList;
95typedef AnnotationList::iterator AnnotationListIter;
96typedef AnnotationList::const_iterator AnnotationListConstIter;
101void to_json(json &j,
const Annotation &annotation);
102void from_json(
const json &j,
Annotation &annotation);
114 return pAnn1->GetAtom2Ptr()->GetAtomId() <
115 pAnn2->GetAtom2Ptr()->GetAtomId();
Definition Annotation.h:111
Definition Annotation.h:28
Definition SmartPointer.h:48