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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: partialChargeDescriptors.C,v 1.1.28.1 2007/03/16 00:06:47 bertsch Exp $
//
#include <BALL/QSAR/partialChargeDescriptors.h>
#include <BALL/KERNEL/fragment.h>
using namespace std;
namespace BALL
{
////////////////////////////////
// Sum of all positive charges
////////////////////////////////
TotalPositivePartialCharge::TotalPositivePartialCharge()
: PartialChargeBase("TotalPositivePartialCharge", "eV")
{
}
TotalPositivePartialCharge::TotalPositivePartialCharge(const TotalPositivePartialCharge& tppc)
: PartialChargeBase(tppc)
{
}
TotalPositivePartialCharge::~TotalPositivePartialCharge()
{
}
TotalPositivePartialCharge& TotalPositivePartialCharge::operator = (const TotalPositivePartialCharge& tppc)
{
this->setName(tppc.getName());
this->setUnit(tppc.getUnit());
return *this;
}
///////////////////////////////
// Sum of all negative charges
///////////////////////////////
TotalNegativePartialCharge::TotalNegativePartialCharge()
: PartialChargeBase("TotalNegativePartialCharge", "eV")
{
}
TotalNegativePartialCharge::TotalNegativePartialCharge(const TotalNegativePartialCharge& tnpc)
: PartialChargeBase(tnpc)
{
}
TotalNegativePartialCharge::~TotalNegativePartialCharge()
{
}
TotalNegativePartialCharge& TotalNegativePartialCharge::operator = (const TotalNegativePartialCharge& tnpc)
{
this->setName(tnpc.getName());
this->setUnit(tnpc.getUnit());
return *this;
}
/////////////////////////////////////////////////////////
// smallest charge devided by the sum of all negatives
/////////////////////////////////////////////////////////
RelPositivePartialCharge::RelPositivePartialCharge()
: PartialChargeBase("RelPositivePartialCharge", "")
{
}
RelPositivePartialCharge::RelPositivePartialCharge(const RelPositivePartialCharge& rppc)
: PartialChargeBase(rppc)
{
}
RelPositivePartialCharge::~RelPositivePartialCharge()
{
}
RelPositivePartialCharge& RelPositivePartialCharge::operator = (const RelPositivePartialCharge& rppc)
{
this->setName(rppc.getName());
this->setUnit(rppc.getUnit());
return *this;
}
/////////////////////////////////////////////////////
// biggest charge devided by the sum of all charges
/////////////////////////////////////////////////////
RelNegativePartialCharge::RelNegativePartialCharge()
: PartialChargeBase("RelNegativePartialCharge", "")
{
}
RelNegativePartialCharge::RelNegativePartialCharge(const RelNegativePartialCharge& rnpc)
: PartialChargeBase(rnpc)
{
}
RelNegativePartialCharge::~RelNegativePartialCharge()
{
}
RelNegativePartialCharge& RelNegativePartialCharge::operator = (const RelNegativePartialCharge& rnpc)
{
this->setName(rnpc.getName());
this->setUnit(rnpc.getUnit());
return *this;
}
} // namespace BALL
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