Пример #1
0
	void IMGDock::reassignForces()
	{
		int i = 0;
		for (AtomIterator it = ligand_->beginAtom(); !it.isEnd(); it++)
		{
			it->setForce(old_forces_[i]);
			i++;
		}
	}
Пример #2
0
	void IMGDock::storeForces()
	{
		int i = 0;
		for (AtomIterator it = ligand_->beginAtom(); !it.isEnd(); it++)
		{
			old_forces_[i] = it->getForce();
			i++;
		}
	}