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cleanup
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stefdoerr committed Nov 16, 2023
1 parent 91020c4 commit 4ae59d7
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Showing 2 changed files with 0 additions and 5 deletions.
3 changes: 0 additions & 3 deletions src/lib/RbtConstraint.cxx
Original file line number Diff line number Diff line change
Expand Up @@ -371,9 +371,6 @@ void RbtPosChargeConstraint::AddAtomList(RbtModelPtr lig, RbtBool bCheck, RbtInt

void RbtSubgraphConstraint::AddAtomList(RbtModelPtr lig, RbtBool bCheck, RbtInt atomId) throw(RbtError)
{

cout << "INSIDE ADDATOMLIST::::" << atomId << endl;

m_atomList = Rbt::GetAtomList(lig->GetAtomList(), Rbt::isAtomSubgraph(atomId));

if (bCheck && (m_atomList.size() < counter))
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2 changes: 0 additions & 2 deletions src/lib/RbtPharmaSF.cxx
Original file line number Diff line number Diff line change
Expand Up @@ -184,7 +184,6 @@ RbtDouble RbtPharmaSF::RawScore() const
RbtInt i = 0;
for (RbtConstraintListConstIter iter = m_constrList.begin(); iter != m_constrList.end(); iter++, i++)
{
// cout << "HERE33333" << endl;
m_conScores[i] = (*iter)->Score();
}
total = std::accumulate(m_conScores.begin(), m_conScores.end(), total);
Expand All @@ -193,7 +192,6 @@ RbtDouble RbtPharmaSF::RawScore() const
i = 0;
for (RbtConstraintListConstIter iter = m_optList.begin(); iter != m_optList.end(); iter++, i++)
{
// cout << "HERE4" << endl;
m_optScores[i] = (*iter)->Score();
}
// partial_sort_copy copies the N lowest scores
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