public static Element[] GetMolecularFormulaOrderingFor(ParticleFlags flags)
{
bool flag1 = (flags & ParticleFlags.MolecularFormula_1) > 0;
bool flag2 = (flags & ParticleFlags.MolecularFormula_2) > 0;
if (!flag1 & !flag2)
{
return(ordering_C_H_alphabetical);
}
if (!flag1 & flag2)
{
return(ordering_H_alphabetical_O);
}
if (!flag2)
{
return(ordering_electronegativity);
}
return(ordering_electronegativity_reversed);
}
public static extern int MakePhase(int group, ParticleFlags flags);
/// <summary>
///
/// </summary>
/// <param name="data"></param>
/// <param name="pos"></param>
private void FromBytes(byte[] data, int pos)
{
int i = pos;
if (data.Length == 0)
{
return;
}
Serial = (uint)(data[i++] + (data[i++] << 8) +
(data[i++] << 16) + (data[i++] << 24));
StartTick = (uint)(data[i++] + (data[i++] << 8) +
(data[i++] << 16) + (data[i++] << 24));
SrcPattern = (SourcePattern)data[i++];
SrcMaxAge = (data[i++] + (data[i++] << 8)) / 256.0f;
// TODO: Unknown
i += 2;
SrcAngleBegin = (data[i++] / 100.0f) * (float)Math.PI;
SrcAngleEnd = (data[i++] / 100.0f) * (float)Math.PI;
SrcBurstRate = (data[i++] + (data[i++] << 8)) / 256.0f;
SrcBurstRadius = (data[i++] + (data[i++] << 8)) / 256.0f;
SrcBurstSpeedMin = (data[i++] + (data[i++] << 8)) / 256.0f;
SrcBurstSpeedMax = (data[i++] + (data[i++] << 8)) / 256.0f;
SrcBurstPartCount = data[i++];
SrcOmega = new LLVector3();
SrcOmega.X = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcOmega.Y = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcOmega.Z = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcAccel = new LLVector3();
SrcAccel.X = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcAccel.Y = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcAccel.Z = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcTexture = new LLUUID(data, i);
i += 16;
SrcTargetKey = new LLUUID(data, i);
i += 16;
PartFlags = (ParticleFlags)(data[i++] + (data[i++] << 8));
PartMaxAge = (data[i++] + (data[i++] << 8)) / 256.0f;
// TODO: Unknown
i += 2;
PartStartRGBA = (uint)(data[i++] + (data[i++] << 8) +
(data[i++] << 16) + (data[i++] << 24));
PartEndRGBA = (uint)(data[i++] + (data[i++] << 8) +
(data[i++] << 16) + (data[i++] << 24));
PartStartScale = new LLVector3();
PartStartScale.X = data[i++] / 32.0f;
PartStartScale.Y = data[i++] / 32.0f;
PartEndScale = new LLVector3();
PartEndScale.X = data[i++] / 32.0f;
PartEndScale.Y = data[i++] / 32.0f;
}
/// <summary>
/// Take all new data from other particle. Id, charge and hashes are not taken
/// </summary>
/// <param name="source">particle to take data from</param>
/// <param name="reorderings">temporary buffer</param>
/// <returns>false if topology mismatch</returns>
public bool TakeAbsentDataFrom(ParticleInfo source, List <int> reorderings, bool allowAutofix = false)
{
Init();
// data copied only if not present in destination
// id stays the same
// hashes are not updated, should be recalculated by the caller
if (string.IsNullOrEmpty(name))
{
name = source.name;
}
if (CID == 0)
{
CID = source.CID;
}
for (int i = 0; i < source.CASes.Count; i++)
{
if (!CASes.Contains(source.CASes[i]))
{
CASes.Add(source.CASes[i]);
}
}
if ((flags & ParticleFlags.HasChemicalFormula) == 0)
{
chemicalFormula = source.chemicalFormula;
flags |= (source.flags & ParticleFlags.HasChemicalFormula);
}
flags |= (source.flags & ParticleFlags.HasSkeletalFormula);
flags |= (source.flags & ParticleFlags.ShowInExplorer);
flags |= (source.flags & ParticleFlags.ShowInConstructor);
flags |= (source.flags & ParticleFlags.ForceIncludeInBuild);
bool success = true;
var structureFlags = ParticleFlags.Has3D | ParticleFlags.Has2D;
if ((flags & structureFlags) != structureFlags && // there is something missing
(source.flags & structureFlags) > 0) // there is something to copy
{
var sAtoms = source.data.atoms;
if ((flags & structureFlags) == 0) // everything is missing
{
// just copy the whole data
data.atoms = DeepCopy(sAtoms);
data.bonds = DeepCopy(source.bonds);
// copy some flags from source
var flagsToCopy = ParticleFlags.HasParticleCharge | ParticleFlags.HasAtomCharges
| ParticleFlags.Has2D | ParticleFlags.Has3D | ParticleFlags.HasTopology
| ParticleFlags.HasRadicalAtoms;
flags &= ~flagsToCopy;
flags |= (source.flags & flagsToCopy);
}
else
{
var atoms = data.atoms;
success = ParticleComparer.AreEqual(this, source, true, reorderings);
if (!success & allowAutofix)
{
success = ParticleComparer.AreEqual(this, source, false, reorderings);
}
if (success)
{
if ((flags & ParticleFlags.Has2D) == 0
& (source.flags & ParticleFlags.Has2D) > 0)
{
// we should take 2d from source, but keep our 3d
for (int i = atoms.Count - 1; i >= 0; i--)
{
atoms[i].flatPosition = sAtoms[reorderings[i]].flatPosition;
}
flags |= ParticleFlags.Has2D | ParticleFlags.HasTopology;
}
else if ((flags & ParticleFlags.Has3D) == 0
& (source.flags & ParticleFlags.Has3D) > 0)
{
// we should take 3d from source, but keep our 2d
for (int i = atoms.Count - 1; i >= 0; i--)
{
atoms[i].position = sAtoms[reorderings[i]].position;
}
flags |= ParticleFlags.Has3D | ParticleFlags.HasTopology;
}
// take charges
if ((source.flags & ParticleFlags.HasAtomCharges) > 0)
{
flags |= (source.flags & (ParticleFlags.HasParticleCharge | ParticleFlags.HasAtomCharges));
for (int i = atoms.Count - 1; i >= 0; i--)
{
if (atoms[i].atomCharge == 0)
{
atoms[i].atomCharge = sAtoms[reorderings[i]].atomCharge;
}
}
}
// take radicals
if ((source.flags & ParticleFlags.HasRadicalAtoms) > 0)
{
flags |= (source.flags & ParticleFlags.HasRadicalAtoms);
for (int i = atoms.Count - 1; i >= 0; i--)
{
if (atoms[i].radical == 0)
{
atoms[i].radical = sAtoms[reorderings[i]].radical;
}
}
}
}
}
}
if (string.IsNullOrEmpty(primaryName))
{
primaryName = source.primaryName;
}
var sSynonyms = source.iupacs;
for (int i = 0; i < sSynonyms.Count; i++)
{
var syn = sSynonyms[i];
if (syn.Equals(primaryName, StringComparison.Ordinal))
{
continue;
}
if (iupacs.Contains(syn))
{
continue;
}
iupacs.Add(syn);
}
return(success);
}
/// <summary>
///
/// </summary>
/// <param name="data"></param>
/// <param name="pos"></param>
private void FromBytes(byte[] data, int pos)
{
int i = pos;
if (data.Length == 0)
return;
Serial = (uint)(data[i++] + (data[i++] << 8) +
(data[i++] << 16) + (data[i++] << 24));
StartTick = (uint)(data[i++] + (data[i++] << 8) +
(data[i++] << 16) + (data[i++] << 24));
SrcPattern = (SourcePattern)data[i++];
SrcMaxAge = (data[i++] + (data[i++] << 8)) / 256.0f;
// TODO: Unknown
i += 2;
SrcAngleBegin = (data[i++] / 100.0f) * (float)Math.PI;
SrcAngleEnd = (data[i++] / 100.0f) * (float)Math.PI;
SrcBurstRate = (data[i++] + (data[i++] << 8)) / 256.0f;
SrcBurstRadius = (data[i++] + (data[i++] << 8)) / 256.0f;
SrcBurstSpeedMin = (data[i++] + (data[i++] << 8)) / 256.0f;
SrcBurstSpeedMax = (data[i++] + (data[i++] << 8)) / 256.0f;
SrcBurstPartCount = data[i++];
SrcOmega = new LLVector3();
SrcOmega.X = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcOmega.Y = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcOmega.Z = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcAccel = new LLVector3();
SrcAccel.X = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcAccel.Y = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcAccel.Z = (data[i++] + (data[i++] << 8)) / 128.0f - 256.0f;
SrcTexture = new LLUUID(data, i);
i += 16;
SrcTargetKey = new LLUUID(data, i);
i += 16;
PartFlags = (ParticleFlags)(data[i++] + (data[i++] << 8));
PartMaxAge = (data[i++] + (data[i++] << 8)) / 256.0f;
// TODO: Unknown
i += 2;
PartStartRGBA = (uint)(data[i++] + (data[i++] << 8) +
(data[i++] << 16) + (data[i++] << 24));
PartEndRGBA = (uint)(data[i++] + (data[i++] << 8) +
(data[i++] << 16) + (data[i++] << 24));
PartStartScale = new LLVector3();
PartStartScale.X = data[i++] / 32.0f;
PartStartScale.Y = data[i++] / 32.0f;
PartEndScale = new LLVector3();
PartEndScale.X = data[i++] / 32.0f;
PartEndScale.Y = data[i++] / 32.0f;
}
