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decane.cpp
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decane.cpp
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#include "decane.h"
int Decane::numDecanes = 0;
Decane::Decane ()
: Alkane (10)
{
this->Rename("dec");
_moltype = Molecule::DECANE;
++numDecanes;
}
Decane::~Decane () {
numDecanes--;
}
Decane::Decane (const Molecule& molecule)
: Alkane(molecule)
{
++numDecanes;
}
void Decane::SetAtoms () {
// Runs through the list of atoms in the system and returns all the carbons
typedef const Atom::Element_t& (Atom::*fn)() const;
algorithm_extra::copy_if (this->begin(), this->end(), std::back_inserter(_carbons), member_functional::mem_fun_eq(&Atom::Element, Atom::C));
/*
// Go through and assign each carbon to the slot in the ordered list
_carbons[0] = this->GetAtom("C1");
_carbons[1] = this->GetAtom("C2");
_carbons[2] = this->GetAtom("C3");
_carbons[3] = this->GetAtom("C4");
_carbons[4] = this->GetAtom("C5");
_carbons[5] = this->GetAtom("C6");
_carbons[6] = this->GetAtom("C7");
_carbons[7] = this->GetAtom("C8");
_carbons[8] = this->GetAtom("C9");
_carbons[9] = this->GetAtom("C10");
*/
return;
}