//=======================================================================
//function : HasIntersection3
//purpose : Auxilare for HasIntersection()
// find intersection point between triangle (P1,P2,P3)
// and segment [PC,P]
//=======================================================================
static bool HasIntersection3(const gp_Pnt& P, const gp_Pnt& PC, gp_Pnt& Pint,
const gp_Pnt& P1, const gp_Pnt& P2, const gp_Pnt& P3)
{
//cout<<"HasIntersection3"<<endl;
//cout<<" PC("<<PC.X()<<","<<PC.Y()<<","<<PC.Z()<<")"<<endl;
//cout<<" P("<<P.X()<<","<<P.Y()<<","<<P.Z()<<")"<<endl;
//cout<<" P1("<<P1.X()<<","<<P1.Y()<<","<<P1.Z()<<")"<<endl;
//cout<<" P2("<<P2.X()<<","<<P2.Y()<<","<<P2.Z()<<")"<<endl;
//cout<<" P3("<<P3.X()<<","<<P3.Y()<<","<<P3.Z()<<")"<<endl;
gp_Vec VP1(P1,P2);
gp_Vec VP2(P1,P3);
IntAna_Quadric IAQ(gp_Pln(P1,VP1.Crossed(VP2)));
IntAna_IntConicQuad IAICQ(gp_Lin(PC,gp_Dir(gp_Vec(PC,P))),IAQ);
if(IAICQ.IsDone()) {
if( IAICQ.IsInQuadric() )
return false;
if( IAICQ.NbPoints() == 1 ) {
gp_Pnt PIn = IAICQ.Point(1);
double preci = 1.e-6;
// check if this point is internal for segment [PC,P]
bool IsExternal =
( (PC.X()-PIn.X())*(P.X()-PIn.X()) > preci ) ||
( (PC.Y()-PIn.Y())*(P.Y()-PIn.Y()) > preci ) ||
( (PC.Z()-PIn.Z())*(P.Z()-PIn.Z()) > preci );
if(IsExternal) {
return false;
}
// check if this point is internal for triangle (P1,P2,P3)
gp_Vec V1(PIn,P1);
gp_Vec V2(PIn,P2);
gp_Vec V3(PIn,P3);
if( V1.Magnitude()<preci || V2.Magnitude()<preci ||
V3.Magnitude()<preci ) {
Pint = PIn;
return true;
}
gp_Vec VC1 = V1.Crossed(V2);
gp_Vec VC2 = V2.Crossed(V3);
gp_Vec VC3 = V3.Crossed(V1);
if(VC1.Magnitude()<preci) {
if(VC2.IsOpposite(VC3,preci)) {
return false;
}
}
else if(VC2.Magnitude()<preci) {
if(VC1.IsOpposite(VC3,preci)) {
return false;
}
}
else if(VC3.Magnitude()<preci) {
if(VC1.IsOpposite(VC2,preci)) {
return false;
}
}
else {
if( VC1.IsOpposite(VC2,preci) || VC1.IsOpposite(VC3,preci) ||
VC2.IsOpposite(VC3,preci) ) {
return false;
}
}
Pint = PIn;
return true;
}
}
return false;
}
/*
* ResidueMutate
*
* Author: Christian Schafmeister (1991)
*
* Mutate the RESIDUE (rOld) into the RESIDUE (rNew).
* Do this by superimposing the coordinates from rOld onto
* rNew, breaking all the bonds from rOld to other residues,
* and rejoining them to identically named atoms in rNew,
* then building the coordinates for the rest of the atoms in rNew.
* The new RESIDUE rNew should not be bonded to anything else, it
* should also have EXTERNAL coordinates defined, but no INTERNALS.
*
*/
void
ResidueMutate( RESIDUE rNew, RESIDUE rOld )
{
LOOP lAtoms, lSpan;
ATOM aNew, aNeighbor, aOld, aAtom, aSpan, aTemp;
STRING sTemp, sSpan;
int i, iDum;
FLAGS fBondFlags;
MESSAGE(( "Mutating: %s to: %s\n", sContainerName( rOld ),
sContainerName(rNew) ));
/* Build internal coordinates for the new RESIDUE */
lAtoms = lLoop( (OBJEKT)rNew, ATOMS );
BuildInternalsUsingFlags( &lAtoms,
ATOMPOSITIONKNOWN,
0,
0,
ATOMPOSITIONKNOWN,
&iDum, &iDum, &iDum );
/* Define the coordinates, and the flags */
/* if there are bonds out of the old RESIDUE, break them */
/* and rejoin them to identically named atoms in the new */
/* RESIDUE */
lAtoms = lLoop( (OBJEKT)rOld, ATOMS );
FOREACH( aOld, ATOM, lAtoms ) {
MESSAGE(( "Searching for atom in new residue with name: %s\n",
sContainerName(aOld) ));
aNew = (ATOM)cContainerFindName( (CONTAINER)rNew, ATOMid,
sContainerName(aOld) );
/* If there is a cooresponding ATOM with the same name */
/* then define its flags and coordinates */
if ( aNew != NULL ) {
MESSAGE(( "--- Found one\n" ));
AtomSetPosition( aNew, vAtomPosition(aOld) );
AtomDefineFlags( aNew, fAtomFlags(aOld) );
} else {
MESSAGE(( "--- No atom found\n" ));
}
/* Search for bonds out of the old RESIDUE */
for ( i=0; i<iAtomCoordination(aOld); i++ ) {
aNeighbor = aAtomBondedNeighbor( aOld, i );
MESSAGE(( "--- Looking at neighbor: %s\n",
sContainerFullDescriptor( (CONTAINER)aNeighbor, sTemp ) ));
if ( rOld != (RESIDUE)cContainerWithin(aNeighbor) ) {
fBondFlags = fAtomBondFlags( aOld, i );
AtomRemoveBond( aOld, aNeighbor );
MESSAGE(( "Removing a bond to: %s\n",
sContainerFullDescriptor( (CONTAINER)aNeighbor, sTemp ) ));
if ( aNew != NULL ) {
MESSAGE(( "--- And rejoining it to: %s\n",
sContainerFullDescriptor( (CONTAINER)aNew, sTemp ) ));
AtomBondToFlags( aNew, aNeighbor, fBondFlags );
} else {
MESSAGE(( "--- Not rejoining it to anything.\n" ));
VP1(( "There is no atom in residue: %s with the name: %s.\n" ));
VP1(( "--- No bond could be made to the missing atom.\n" ));
}
}
}
}
