void IMGDock::rotateLigandFragment(Size fragment, Size bond, int degree)
{
const vector<StaticLigandFragment*>* ligand_fragments = scoring_function_->getStaticLigandFragments();
if (ligand_fragments->size() < fragment)
{
String s="There are less than ";
s = s+String(fragment+1)+" fragments!";
throw Exception::GeneralException(__FILE__, __LINE__, "Rotation error", s);
return;
}
StaticLigandFragment* lf = (*ligand_fragments)[fragment];
if (lf->connections.size() < bond)
{
String s="Fragment has less than ";
s = s+String(bond+1)+" bonds!";
throw Exception::GeneralException(__FILE__, __LINE__, "Rotation error", s);
return;
}
StaticLigandFragment::Connection* nc = &lf->connections[bond];
TMatrix4x4<float> M;
TAngle<float> angle(degree, false);
Vector3 axis = nc->neighbor_atom->getPosition() - nc->atom->getPosition();
M.setRotation(angle, axis);
Vector3 origin = nc->atom->getPosition();
rotateLigandFragment(lf, M, origin, nc->fragment->ID);
}
DGLE_RESULT DGLE_API CFixedFunctionPipeline::GetSpotLightConfiguration(uint uiIdx, TPoint3 &stPosition, TVector3 &stDirection, float &fRange, float &fSpotAngle)
{
E_LIGHT_TYPE type;
GetLightType(uiIdx, type);
if (uiIdx >= (uint)_iMaxLights || type != LT_SPOT)
return E_INVALIDARG;
GLfloat pos[4];
glGetLightfv(GL_LIGHT0 + uiIdx, GL_POSITION, pos);
glGetLightfv(GL_LIGHT0 + uiIdx, GL_SPOT_DIRECTION, stDirection);
// May work wrong when light position was set or changed directly via OpenGL outside this class.
const TMatrix4x4 inv_mview = MatrixInverse(_pLights[uiIdx].mview);
stPosition = inv_mview.ApplyToPoint(TPoint3(pos[0], pos[1], pos[2]));
stDirection = inv_mview.ApplyToVector(stDirection);
glGetLightfv(GL_LIGHT0 + uiIdx, GL_SPOT_CUTOFF, &fSpotAngle);
fSpotAngle *= 2.f;
glGetLightfv(GL_LIGHT0 + uiIdx, GL_LINEAR_ATTENUATION, &fRange);
fRange = _c_fAttenuationFactor / fRange;
return S_OK;
}
void GridAnalysis::moveProbeGroup_(const Vector3& destination)
{
TMatrix4x4<float> M;
Vector3 translation_vector = destination-center_;
M.setTranslation(translation_vector);
for (AtomIterator it = probe_group_.beginAtom(); +it; it++)
{
it->setPosition(M*it->getPosition());
}
center_ = destination;
}
void IMGDock::translateLigand(Vector3& v)
{
TMatrix4x4<float> M;
M.setTranslation(v);
// transform all atoms of the ligand
for (AtomIterator it = ligand_->beginAtom(); it != ligand_->endAtom(); it++)
{
it->setPosition(M*it->getPosition());
}
}
void GridAnalysis::rotateProbeGroup_(int axis, int degree)
{
TMatrix4x4<float> M;
TAngle<float> angle(degree, false);
Vector3 axis_vector(axis == 0, axis == 1, axis == 2);
M.setRotation(angle, axis_vector);
for (AtomIterator it = probe_group_.beginAtom(); it != probe_group_.endAtom(); it++)
{
it->setPosition(M*(it->getPosition()-center_)+center_);
}
}
void IMGDock::rotateLigand(int a, int degree)
{
TMatrix4x4<float> M;
TAngle<float> angle(degree, false);
Vector3 axis(a == 0, a == 1, a == 2);
M.setRotation(angle, axis);
const Vector3& origin = scoring_function_->getLigandCenter();
for (AtomIterator it = ligand_->beginAtom(); it != ligand_->endAtom(); it++)
{
it->setPosition(M*(it->getPosition()-origin)+origin);
}
}
void ScoreGridSet::transform(TMatrix4x4 < float > & T)
{
TMatrix4x4<float> T_i;
T.invert(T_i); // store inverse of T in T_i
T_ *= T;
T_i_ *= T_i ; // store the inverse of all transformations in T_i_
transformed_ = 1;
origin_ = T*origin_;
}
DGLE_RESULT DGLE_API CMesh::TransformVertices(const TMatrix4x4 &stTransMatrix)
{
if (!_pBuffer)
return S_FALSE;
TDrawDataDesc desc;
uint stride, verts_data_size, verts_count, idxs_data_size, idxs_count;
_CopyMeshData(desc, stride, verts_data_size, verts_count, idxs_data_size, idxs_count);
for (uint i = 0; i < verts_count; ++i)
{
TPoint3 *p = reinterpret_cast<TPoint3 *>(&desc.pData[stride * i]);
*p = stTransMatrix.ApplyToPoint(*p);
}
PARANOIC_CHECK_RES(_pBuffer->Reallocate(desc, verts_count, idxs_count, CRDM_TRIANGLES));
delete[] desc.pData;
return S_OK;
}