void CTransform::TransformPoint(float *pt3)
{
if(Mode == rotate)
{
float & ptHorz = pt3[axHorz];
float & ptVert = pt3[axVert];
float fX, fY;
// find rotate angle
rotate_coords(&fX, &fY, ptHorz - ptRef[axHorz],
ptVert - ptRef[axVert], fAngle);
ptHorz = fX + ptRef[axHorz];
ptVert = fY + ptRef[axVert];
return;
}
if(Mode == shear)
{
if(
}
}
ErrorCode update_res_coords(IndexValue res, FloatValue *coords, BoolValue *distmask, struct AtomData *atoms, IndexValue natoms, struct ResidueData *residues, struct ChainData *chains, IndexValue nchains, BoolValue updatemask)
{
IndexValue bond;
FloatValue alpha;
for (bond = 0; bond < residues[res].nbonds; bond++)
if (residues[res].bonds[bond].type != NOT_SET)
{
alpha = residues[res].bonds[bond].newangle - residues[res].bonds[bond].angle;
if (fabs(alpha) > MIN_FLOAT_DIFF)
{
rotate_coords(coords, alpha, bond, residues, res);
if (updatemask)
{
update_distmask(distmask, atoms, natoms, bond, residues, res, chains, nchains);
}
residues[res].bonds[bond].angle += alpha;
}
}
return NO_ERROR;
}
