/*!
The compute method
save all possible move results into mChanges
i-1
|
|
|
i.......c
| .
| .
| .
i+1.....l
i-1 --> c
i -- > l
*/
void DoublePullMove::compute(Conf & theConf, Pos const thePos)
{
WatchError
mChanges.clear(); // reset previous info
if (!thePos || thePos >= Protein::p().Span()) return;
Change tChange;
for(Int pullDir = -1; pullDir <= 1; pullDir+=2)
{
for(Dir tDir1=0; tDir1 < Lattice::l().NeighCount(); ++tDir1)
{
for(Dir tDir2=0; tDir2 < Lattice::l().NeighCount(); ++tDir2)
{
tChange.reset();
Point l = theConf.Coord(thePos + pullDir) + Lattice::l().DirVec(tDir1);
if(theConf.occupied(l))continue;
Point c = theConf.Coord(thePos) + Lattice::l().DirVec(tDir2);
if(theConf.occupied(c))continue;
if(!Lattice::l().areNeighbors(l,c)) continue;
Pos tPos = thePos;
while(tPos <= Protein::p().Span()&& l!=theConf.Coord(tPos))
{
tChange.add(tPos,l);
if((Idx)(tPos-pullDir) <=Protein::p().Span() && Lattice::l().areNeighbors(l,theConf.Coord(tPos-pullDir))) // keeps the move local
break;
l=c;
c=theConf.Coord(tPos);
tPos-=pullDir;
}
mChanges.insertMem(tChange);
}
}
}
CatchError
}
void BackBonePullMove::compute(Conf & theConf, Pos const thePos)
{
WatchError
mChanges.clear(); // reset previous info
if (!thePos || thePos >= Protein::p().Span()) return;
Change tChange;
for(Int pullDir = -1; pullDir <= 1; pullDir+=2)
{
for(Dir tDir1=0; tDir1 < Lattice::l().NeighCount(); ++tDir1)
{
for(Dir tDir2=0; tDir2 < Lattice::l().NeighCount(); ++tDir2)
{
for(Dir tDir3=0;tDir3<Lattice::l().NeighCount(); ++tDir3)
{
for(Dir tDir4=0;tDir4<Lattice::l().NeighCount(); ++tDir4)
{
Point l = theConf.Coord(thePos + pullDir) + Lattice::l().DirVec(tDir1);
if(theConf.occupied(l))continue;
Point c = theConf.Coord(thePos) + Lattice::l().DirVec(tDir2);
if(theConf.occupied(c))continue;
if(!Lattice::l().areNeighbors(l,c)) continue;
// at this situation we also need two more positions
// lS and cS that are free and not equal to c and l respectively
// then we can start the pull, otherwise not
// check for side chains
tChange.reset();
Point lS=l+Lattice::l().DirVec(tDir3);
if(theConf.occupied(lS)||lS==c)continue;
Point cS=c+Lattice::l().DirVec(tDir4);
if(theConf.occupied(cS)||cS==l)continue;
// lS and CS cant be the same position
if(lS==cS) continue;
// else move possible
Pos tPos = thePos;
while(tPos>=0 && tPos <= (Protein::p().Length()/2-1) && l!=theConf.Coord(tPos))
{
tChange.add(tPos,l);
tChange.add(tPos+Protein::p().Length()/2,lS);
if((Idx)(tPos-pullDir) <=(Protein::p().Length()/2-1) &&
(tPos-pullDir) >=0 &&
Lattice::l().areNeighbors(l,theConf.Coord(tPos-pullDir))) // keeps the move local
break;
l=c;
lS=cS;
c=theConf.Coord(tPos);
cS=theConf.Coord(tPos+Protein::p().Length()/2);
tPos-=pullDir;
}
mChanges.insertMem(tChange);
}
}
}
}
}
CatchError
}