static void UnregisterBlock(MEMINFO *block)
{
if (!MonitoringEnabled)
return;
EnterCriticalSection(&CS);
if (block->prev)
block->prev->next = block->next;
if (block->next)
block->next->prev = block->prev;
if(block == LastMemBlock)
LastMemBlock = LastMemBlock->prev;
CheckChain();
updateCallCount(block->AllocationType, false);
--AllocatedMemoryBlocks;
AllocatedMemorySize-=block->Size;
LeaveCriticalSection(&CS);
if (!AllocatedMemoryBlocks)
DeleteCriticalSection(&CS);
}
Path::Path(const Coordinates& sp_coords, const Field* new_pfield):
clr(new_pfield->GetColor(sp_coords)),
field(new_pfield),
path_created(false),
enemy_point_inside(false),
sp(sp_coords)
{
Path::SearchResult sr = field->SearchNearby(sp);
if(sr.amount >= 2){
Dots to_skip; //container to store dots that we must skip
//clearing all the containers
tr.clear();
path.clear();
to_skip.clear();
//appending start point as a root
Path::Iter root = tr.insert(tr.begin(), sp);
//assigning first points
for(int i = 0; i <= sr.amount; i++){
Build(sr.find_coords[i], root, to_skip, sp);
to_skip.clear();
}
//here we'll get the path
//vector of all availiable iterators from
//root to any copy of start point in tree
std::vector<Path::Iter> iters;
Path::Iter it = root;
it++;
//finding all the copies of the first point in the tree
while(it!=tr.end()){
if(*it == sp)
iters.push_back(it);
it++;
}
//if any copy found...
if(!iters.empty()){
//we add parent of current point to path, then we make this parent to be current point
for(size_t i = 0; i < iters.size(); i++){
Path::Iter cur = iters[i];
while(cur != root){
path.push_back(*cur);
cur = tr.parent(cur);
}
path.push_back(sp);
}
//if any copy was found then it will be at least one path. That means that path is created
path_created = true;
CheckChain(); //check chain to have enemy dot inside
}
//clearing containers
tr.clear();
to_skip.clear();
}
}
static void RegisterBlock(MEMINFO *block)
{
if (!MonitoringEnabled)
return;
if (!AllocatedMemoryBlocks)
InitializeCriticalSection(&CS);
EnterCriticalSection(&CS);
block->prev = LastMemBlock;
block->next = nullptr;
LastMemBlock->next = block;
LastMemBlock = block;
CheckChain();
updateCallCount(block->AllocationType, true);
++AllocatedMemoryBlocks;
++TotalAllocationCalls;
AllocatedMemorySize+=block->Size;
LeaveCriticalSection(&CS);
}
int main(int argc, char **argv)
{
CHAIN **Chain;
HBOND **HBond;
COMMAND *Cmd;
int Cn, NChain=0, NHBond=0, ValidChain=0;
float **PhiPsiMapHelix, **PhiPsiMapSheet;
register int i;
/* argc = ccommand(&argv); */ /* For Macintosh only, see readme.mac */
Chain = (CHAIN **)ckalloc(MAX_CHAIN*sizeof(CHAIN *));
HBond = (HBOND **)ckalloc(MAXHYDRBOND*sizeof(HBOND *));
Cmd = (COMMAND *)ckalloc(sizeof(COMMAND));
ProcessStrideOptions(argv,argc,Cmd);
if( !ReadPDBFile(Chain,&NChain,Cmd) || !NChain )
die("Error reading PDB file %s\n",Cmd->InputFile);
for( Cn=0; Cn<NChain; Cn++ )
ValidChain += CheckChain(Chain[Cn],Cmd);
/* if( Cmd->Stringent )
* exit(0);
*/
if( !ValidChain )
die("No valid chain in %s\n",Chain[0]->File);
if( Cmd->BrookhavenAsn )
GetPdbAsn(Chain,NChain);
if( Cmd->DsspAsn )
GetDsspAsn(Chain,NChain,Cmd);
BackboneAngles(Chain,NChain);
if( Cmd->OutSeq )
OutSeq(Chain,NChain,Cmd);
if( Cmd->ContactOrder )
ContactOrder(Chain,NChain,Cmd);
if( Cmd->ContactMap )
ContactMap(Chain,NChain,Cmd);
if( !strlen(Cmd->MapFileHelix) )
PhiPsiMapHelix = DefaultHelixMap(Cmd);
else
ReadPhiPsiMap(Cmd->MapFileHelix,&PhiPsiMapHelix,Cmd);
if( !strlen(Cmd->MapFileSheet) )
PhiPsiMapSheet = DefaultSheetMap(Cmd);
else
ReadPhiPsiMap(Cmd->MapFileSheet,&PhiPsiMapSheet,Cmd);
for( Cn=0; Cn<NChain; Cn++ )
PlaceHydrogens(Chain[Cn]);
if( (NHBond = FindHydrogenBonds(Chain,Cn,HBond,Cmd)) == 0 )
die("No hydrogen bonds found in %s\n",Cmd->InputFile);
NoDoubleHBond(HBond,NHBond);
DiscrPhiPsi(Chain,NChain,Cmd);
if(Cmd->ExposedArea)
Area(Chain,NChain,Cmd);
for( Cn=0; Cn<NChain; Cn++ ) {
if( Chain[Cn]->Valid ) {
Helix(Chain,Cn,HBond,Cmd,PhiPsiMapHelix);
for( i=0; i<NChain; i++ )
if( Chain[i]->Valid )
Sheet(Chain,Cn,i,HBond,Cmd,PhiPsiMapSheet);
BetaTurn(Chain,Cn);
GammaTurn(Chain,Cn,HBond);
}
}
Report(Chain,NChain,HBond,Cmd);
if( Cmd->MolScript )
MolScript(Chain,NChain,Cmd);
for( i=0; i<Cn; i++ ) free(Chain[i]);
for( i=0; i<NHBond; i++ ) free(HBond[i]);
free(Cmd);
return(0);
}
