5 #ifndef BALL_STRUCTURE_UCK_H 6 #define BALL_STRUCTURE_UCK_H 8 #ifndef BALL_DATATYPE_STRING_H 54 void printUCK(std::ostream& outstr);
58 const String& getFormula()
const;
60 const String& getUCK()
const;
62 const String& getId()
const;
80 void getGraph(std::vector<String>& v, PairVector& e,
const Molecule& mol);
85 void makePathMatrix(
const PairVector& e, SizeVector& sp,
const Size e_size);
89 void makePairs(
const std::vector<String>& lambda_map, std::vector<String>& pairs,
const std::vector<vector<Size> >& sp);
93 String lambda(
String lambda_d,
const PairVector& e,
const std::vector<String>& v,
Size pos,
Size d);
98 void createFinalString(
const std::vector<String>& pairs);
105 bool ignore_hydrogens_;
109 #endif // BALL_STRUCTURE_UCK_H
std::vector< std::vector< Size > > SizeVector
-*- Mode: C++; tab-width: 2; -*-
std::vector< std::pair< Size, Size > > PairVector