SuperCell::SuperCell(const Vec v[3], const bool p[3])
{
atoms = 0;
for (int i = 0; i < 3; i++)
periodic[i] = p[i];
SetBasis(v);
}
SuperCell::SuperCell(const SuperCell *original)
{
atoms = 0;
for (int i = 0; i < 3; i++)
periodic[i] = original->periodic[i];
SetBasis(original->vectors);
}
SuperCell::SuperCell(const SuperCell &original)
{
atoms = 0;
for (i = 0; i < 3; i++)
periodic[i] = original.periodic[i];
SetBasis(original.vectors);
}
void IK_QSegment::Reset()
{
m_locked[0] = m_locked[1] = m_locked[2] = false;
m_basis = m_orig_basis;
m_translation = m_orig_translation;
SetBasis(m_basis);
for (IK_QSegment *seg = m_child; seg; seg = seg->m_sibling)
seg->Reset();
}
void IK_QSegment::SetTransform(
const MT_Vector3& start,
const MT_Matrix3x3& rest_basis,
const MT_Matrix3x3& basis,
const MT_Scalar length
)
{
m_max_extension = start.length() + length;
m_start = start;
m_rest_basis = rest_basis;
m_orig_basis = basis;
SetBasis(basis);
m_translation = MT_Vector3(0, length, 0);
m_orig_translation = m_translation;
}
int SetRotMxInfo(const int *R, T_SMxI *SI)
{
int Order, AbsOrder, i;
int M_ProperR[9];
const int *ProperR;
int M_CumMx[9], *CumMx;
if (SI) ResetSeitzMxInfo(SI, 0);
Order = GetRotMxOrder(R);
if (Order == 0)
return 0;
ProperR = R;
AbsOrder = Order;
if (AbsOrder < 0) {
AbsOrder *= -1;
for (i = 0; i < 9; i++) M_ProperR[i] = -R[i];
ProperR = M_ProperR;
}
CumMx = NULL; if (SI != NULL) CumMx = M_CumMx;
if (VerifyRotMxOrder(ProperR, AbsOrder, CumMx) != 0)
return 0;
if (SI)
{
if (SetBasis(ProperR, AbsOrder, CumMx, SI->Basis) != 0) {
ResetSeitzMxInfo(SI, 0);
return 0;
}
SI->SenseOfRotation = SenseOfRotation(R, Order, SI->Basis[2]);
SI->Order = Order;
}
return Order;
}
void Matrix3::SetBasis(unsigned index, Vec3Param basisVector)
{
SetBasis(index, basisVector[0], basisVector[1], basisVector[2]);
}
GEMDen::GEMDen(string Typ, string BasName)
{
//Fancy constructor
SetBasis(Typ,BasName);
return;
};
