public void AngleConnect(int a0, int a1, int a2)
{
_busy++;
long key = GetAngleConnectionKey(a0, a1, a2);
if (!anglesDict.ContainsKey(key))
{
AngleConnection angleConnection = new AngleConnection(atoms, a0, a1, a2);
anglesDict[key] = angleConnection;
}
_busy--;
}
//Params
public Bend GetBendParameter(AngleConnection angleConnection)
{
foreach (Bend param in parameters.bends)
{
if (angleConnection.atom1.amberName != param.t1)
{
continue;
}
if (angleConnection.atom0.amberName == param.t0 && angleConnection.atom2.amberName == param.t2)
{
return(param);
}
if (angleConnection.atom0.amberName == param.t2 && angleConnection.atom2.amberName == param.t0)
{
return(param);
}
}
return(null);
}
void Update()
{
//Populate/Display tooltip
if (activeAtoms == null)
{
return;
}
if (activeAtoms.selection.Count == 3)
{
if (bendBoxContainer.activeSelf == false)
{
bendBoxContainer.SetActive(true);
}
a0 = activeAtoms.selection[0];
a1 = activeAtoms.selection[1];
a2 = activeAtoms.selection[2];
angleConnection = activeAtoms.graph.GetAngleConnection(a0, a1, a2);
if (angleConnection == null)
{
return;
}
atom0 = angleConnection.atom0;
atom1 = angleConnection.atom1;
atom2 = angleConnection.atom2;
bend = activeAtoms.graph.GetBendParameter(angleConnection);
Mathematics.VectorFromVector3(atom0.p, p0);
Mathematics.VectorFromVector3(atom1.p, p1);
Mathematics.VectorFromVector3(atom2.p, p2);
if (Mathematics.IsEqual(p0, p0Old) && Mathematics.IsEqual(p1, p1Old) && Mathematics.IsEqual(p2, p2Old))
{
return;
}
Mathematics.GetBendForce(p0, p1, p2, energies, force0, force1, force2, Mathf.Deg2Rad * bend.req, bend.keq);
atom0Text.text = string.Format("{0}{1} ({2})", atom0.element, atom0.index, atom0.amberName);
atom1Text.text = string.Format("{0}{1} ({2})", atom1.element, atom1.index, atom1.amberName);
atom2Text.text = string.Format("{0}{1} ({2})", atom2.element, atom2.index, atom2.amberName);
angleText.text = string.Format("{0}", angleConnection.angle);
energyText.text = string.Format("{0}", energies[0]);
gradientText.text = string.Format("{0}", energies[1]);
forceConstantText.text = string.Format("{0}", energies[2]);
Mathematics.Copy(p0, p0Old);
Mathematics.Copy(p1, p1Old);
Mathematics.Copy(p2, p2Old);
}
else
{
bendBoxContainer.SetActive(false);
}
}
