private static extern void MDDriver_getEnergies(ref IMDEnergies energies);
void Update()
{
IMDEnergies energies = new IMDEnergies();
if (MDDriver_isConnected())
{
// if (!logFPS)
// {
// logFPS = true;
// Molecule3DComp.toggleFPSLog ();
// }
MDDriver_getEnergies(ref energies);
// Debug.Log (energies.Etot);
PlotManager.Instance.PlotAdd("Total Energy", energies.Etot);
if (Input.GetKeyDown(KeyCode.A))
{
MDDriver_pause();
}
if (Input.GetKeyDown(KeyCode.Z))
{
MDDriver_play();
}
int readParticles = MDDriver_getNbParticles();
//Debug.Log("readParticles: " + readParticles);
if (readParticles != nbParticles)
{
Debug.Log("readParticles: " + readParticles);
nbParticles = readParticles;
pos2 = new float[nbParticles * 3];
}
else if (pos2.Length == readParticles * 3)
{
// Store retrieved positions but let managers update positions later
readParticles = MDDriver_getPositions(pos2, readParticles);
List <Vector3> lst = new List <Vector3>();
for (int i = 0; i < readParticles; i++)
{
lst.Add(new Vector3(pos2[i * 3], pos2[i * 3 + 1], pos2[i * 3 + 2]));
}
MoleculeModel.atomsMDDriverLocationlist = lst;
}
List <GenericManager> managers = Molecule.View.DisplayMolecule.GetManagers();
GenericManager atomManager = managers[0];
atomManager.ResetMDDriverPositions();
// Copied from DisplayMolecule.GetManagers
// Does not work otherwise. Why?
if (UIData.bondtype == UIData.BondType.line)
{
GameObject lineManagerObj = GameObject.FindGameObjectWithTag("LineManager");
LineManager lineManager = lineManagerObj.GetComponent <LineManager>();
lineManager.ResetPositions();
}
else if (UIData.bondtype == UIData.BondType.cube)
{
GameObject cubeBondManagerObj = GameObject.FindGameObjectWithTag("CubeBondManager");
CubeBondManager cubeBondManager = cubeBondManagerObj.GetComponent <CubeBondManager>();
cubeBondManager.ResetPositions();
}
else if (UIData.bondtype == UIData.BondType.hyperstick)
{
GameObject hStickManagerObj = GameObject.FindGameObjectWithTag("HStickManager");
HStickManager hStickManager = hStickManagerObj.GetComponent <HStickManager>();
hStickManager.ResetPositions();
}
if (MDDriver.hb)
{
// Debug.Log (RNAView.findHbonds().Count);
// List<int[]> hbonds = RNAView.findHbonds();
// Debug.Log (bonds.Count + " bonds found");
// int sequenceLength = MoleculeModel.sequence.Count();
// string structure = VARNA.generateStructureString(sequenceLength, hbonds);
// VARNA.generateImage(MoleculeModel.sequence, structure, "test.png");
}
}
else
{
Debug.Log("Not connected...");
}
}
