private void ResizeCoords(int wheelDelta)
{
if (mol == null) return;
//first we get the limit for scaling in x and y
BoundingBox rawBounds = GetBoundingBox(molRawCopy);
double scaleLimitX = 275 / rawBounds.Width - 30;
double scaleLimitY = 275 / rawBounds.Height - 30;
//The minimum scale distance is 30
double minimumScaleXY = 30;
int scaleAmount = 10;
//Now we get our current scaling
double currentScaleX = bounds.Width / rawBounds.Width;
double currentScaleY = bounds.Height / rawBounds.Height;
double sx = 0, sy = 0;
//Now based on the value of wheelDelta (+-) we determine which direction we scale to
if (wheelDelta > 0)
{
//If its greater we scale up
//But first we make sure we are not above the scale limit
if (currentScaleX >= scaleLimitX || currentScaleY >= scaleLimitY)
return;
//Now we want to increase the scale by 10 in both x and y, but we don't want it going beyond the limit so we get the min of the two
sx = Math.Min(currentScaleX + scaleAmount, scaleLimitX);
sy = Math.Min(currentScaleY + scaleAmount, scaleLimitY);
}
else if (wheelDelta < 0)
{
//Now we try and scale down, doing the same as for scaling up
if (currentScaleX <= minimumScaleXY || currentScaleY <= minimumScaleXY)
return;
sx = Math.Max(currentScaleX - scaleAmount, minimumScaleXY);
sy = Math.Max(currentScaleY - scaleAmount, minimumScaleXY);
}
foreach (Node rawAtom in molRawCopy.Atoms.Values)
{
foreach (Node atom in mol.Atoms.Values)
{
if (rawAtom.ID == atom.ID)
{
atom.Position = rawAtom.Position;
break;
}
}
}
//Now we go through and scale the points base off the raw copy
foreach (Node atom in mol.Atoms.Values)
{
double ox = atom.Position.X;
double oy = atom.Position.Y;
double x = (ox * sx + center.X);
double y = (oy * sy + center.Y);
atom.Position = new Vector3(x, y, 0);
}
bounds = GetBoundingBox(mol);
foreach (Bond bond in mol.Bonds)
{
bond.CalculateBoundPath();
}
}
private void NormalizeCoords()
{
if (mol == null) return;
//we get the bounds of the raw copy for initial sizing
bounds = GetBoundingBox(molRawCopy);
//The scale values for x and y are then calculated
double sx = 30;//275 / bounds.Width-30;
double sy = 40;//275 / bounds.Height-30;
foreach (Node atom in mol.Atoms.Values)
{
double ox = atom.Position.X;
double oy = atom.Position.Y;
double x = (ox*sx + center.X);
double y = (oy*sy + center.Y);
atom.Position = new Vector3(x, y, 0);
//Finally we go through the bonds and update their nodes, due to some error in copying
foreach (Bond bond in mol.Bonds)
{
if (bond.Node1.ID == atom.ID)
bond.Node1 = atom;
else if (bond.Node2.ID == atom.ID)
bond.Node2 = atom;
}
//and again go through one more time to calculate the paths
foreach (Bond bond in mol.Bonds)
{
bond.CalculateBoundPath();
}
}
//We also need to get the new size of the bounding box and get the bounds for each bond
bounds = GetBoundingBox(mol);
// bondBoundList = GetBondBoundList();
}