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ExclusionSignature Struct Reference

#include <structures.h>

List of all members.

Public Member Functions

 ExclusionSignature ()
 ExclusionSignature (const ExclusionSignature &sig)
 ~ExclusionSignature ()
ExclusionSignature & operator= (const ExclusionSignature &sig)
int operator== (const ExclusionSignature &sig) const
void setOffsets (vector< int > &fullVec, vector< int > &modVec)
void removeEmptyOffset ()
int findOffset (int offset, int *fullOrMod)
void pack (MOStream *msg)
void unpack (MIStream *msg)

Public Attributes

int fullExclCnt
int * fullOffset
int modExclCnt
int * modOffset

Constructor & Destructor Documentation

ExclusionSignature::ExclusionSignature (   )  [inline]
 

Definition at line 405 of file structures.h.

00405                         {
00406         fullExclCnt = modExclCnt = 0;
00407         fullOffset = modOffset = NULL;
00408     }

ExclusionSignature::ExclusionSignature (  const ExclusionSignature &  sig  )  [inline]
 

Definition at line 409 of file structures.h.

References fullExclCnt, fullOffset, modExclCnt, and modOffset.

00409                                                      {
00410         fullOffset = modOffset = NULL;
00411         fullExclCnt = sig.fullExclCnt;
00412         if(fullExclCnt>0){
00413             fullOffset = new int[fullExclCnt];
00414             for(int i=0; i<fullExclCnt; i++)
00415                 fullOffset[i] = sig.fullOffset[i];
00416         }
00417         
00418         modExclCnt = sig.modExclCnt;
00419         if(modExclCnt>0){
00420             modOffset = new int[modExclCnt];
00421             for(int i=0; i<modExclCnt; i++)
00422                 modOffset[i] = sig.modOffset[i];
00423         }
00424     }

ExclusionSignature::~ExclusionSignature (   )  [inline]
 

Definition at line 425 of file structures.h.

00425                          {
00426         if(fullOffset) delete [] fullOffset;
00427         if(modOffset) delete [] modOffset;
00428     }

Member Function Documentation

int ExclusionSignature::findOffset (  int  offset,
int *  fullOrMod
) 
 

Definition at line 8492 of file Molecule.C.

References fullOffset, and modOffset.

08492                                                             {
08493         //assuming all offsets have been sorted increasingly
08494         //so that binary search could be used   
08495         int retidx = -1;
08496         
08497         *fullOrMod = 0; 
08498         int low = 0;
08499         int high = fullExclCnt-1;
08500         int mid = (low+high)/2;
08501         while(low<=high){
08502                 if(offset<fullOffset[mid]){
08503                         high = mid-1;
08504                         mid = (high+low)/2;                                             
08505                 }else if(offset>fullOffset[mid]){
08506                         low = mid+1;
08507                         mid = (high+low)/2;
08508                 }else{
08509                         retidx = mid;
08510                         break;
08511                 }               
08512         }
08513         if(retidx!=-1) return retidx;
08514         
08515         *fullOrMod = 1; 
08516         low = 0;
08517         high = modExclCnt-1;
08518         mid = (low+high)/2;
08519         while(low<=high){
08520                 if(offset<modOffset[mid]){
08521                         high = mid-1;
08522                         mid = (high+low)/2;                                             
08523                 }else if(offset>modOffset[mid]){
08524                         low = mid+1;
08525                         mid = (high+low)/2;
08526                 }else{
08527                         retidx = mid;
08528                         break;
08529                 }               
08530         }
08531         return retidx;  
08532 }

ExclusionSignature& ExclusionSignature::operator= (  const ExclusionSignature &  sig  )  [inline]
 

Definition at line 430 of file structures.h.

References fullExclCnt, fullOffset, modExclCnt, and modOffset.

00430                                                                 {
00431         fullExclCnt = sig.fullExclCnt;
00432         if(fullOffset) delete [] fullOffset;
00433         if(fullExclCnt>0){
00434             fullOffset = new int[fullExclCnt];
00435             for(int i=0; i<fullExclCnt; i++)
00436                 fullOffset[i] = sig.fullOffset[i];
00437         }else
00438             fullOffset = NULL;
00439     
00440         modExclCnt = sig.modExclCnt;
00441         if(modOffset) delete [] modOffset;
00442         if(modExclCnt>0){
00443             modOffset = new int[modExclCnt];
00444             for(int i=0; i<modExclCnt; i++)
00445                 modOffset[i] = sig.modOffset[i];
00446         }else
00447             modOffset = NULL;
00448 
00449         return *this;
00450     }

int ExclusionSignature::operator== (  const ExclusionSignature &  sig  )  const [inline]
 

Definition at line 451 of file structures.h.

References fullExclCnt, fullOffset, modExclCnt, and modOffset.

00451                                                            {
00452             if(fullExclCnt!=sig.fullExclCnt) return 0;
00453             if(modExclCnt!=sig.modExclCnt) return 0;
00454             
00455             for(int i=0; i<fullExclCnt; i++){
00456                         if(fullOffset[i]!=sig.fullOffset[i]) return 0;
00457             }
00458             for(int i=0; i<modExclCnt; i++){
00459                         if(modOffset[i]!=sig.modOffset[i]) return 0;
00460             }
00461             return 1;
00462         }

void ExclusionSignature::pack (  MOStream *  msg  ) 
 

Definition at line 8534 of file Molecule.C.

References fullOffset, modOffset, and MOStream::put().

08534                                           {
08535     msg->put(fullExclCnt);    
08536     msg->put(fullExclCnt, fullOffset);
08537     msg->put(modExclCnt);    
08538     msg->put(modExclCnt, modOffset);
08539 }

void ExclusionSignature::removeEmptyOffset (   ) 
 

Definition at line 8441 of file Molecule.C.

References fullOffset, and modOffset.

08441                                           {
08442         int newCnt=0;
08443         for(int i=0; i<fullExclCnt; i++){
08444             if(fullOffset[i]==0) continue;
08445             newCnt++;
08446         }
08447     if(newCnt==0){
08448         fullExclCnt = 0;
08449         delete [] fullOffset;
08450         fullOffset = NULL;
08451     }else if(newCnt!=fullExclCnt){
08452         int *tmpOffset = new int[newCnt];
08453         newCnt=0;
08454         for(int i=0; i<fullExclCnt; i++){
08455             if(fullOffset[i]==0) continue;
08456             tmpOffset[newCnt] = fullOffset[i];
08457             newCnt++;
08458         }
08459         delete [] fullOffset;
08460         fullOffset = tmpOffset;
08461         fullExclCnt = newCnt;
08462     }
08463         
08464         
08465         newCnt=0;
08466         for(int i=0; i<modExclCnt; i++){
08467             if(modOffset[i]==0) continue;
08468             newCnt++;
08469         }
08470     if(newCnt==0){
08471         modExclCnt = 0;
08472         delete [] modOffset;
08473         modOffset = NULL;
08474     }else if(newCnt!=modExclCnt){
08475         int *tmpOffset = new int[newCnt];
08476         newCnt=0;
08477         for(int i=0; i<modExclCnt; i++){
08478             if(modOffset[i]==0) continue;
08479             tmpOffset[newCnt] = modOffset[i];
08480             newCnt++;
08481         }
08482         delete [] modOffset;
08483         modOffset = tmpOffset;
08484         modExclCnt = newCnt;
08485     }   
08486 }

void ExclusionSignature::setOffsets (  vector< int > &  fullVec,
vector< int > &  modVec
)  [inline]
 

Definition at line 464 of file structures.h.

00464                                                               {
00465         fullExclCnt = fullVec.size();
00466         modExclCnt = modVec.size();
00467         if(fullExclCnt>0) {        
00468             fullOffset = new int[fullExclCnt];
00469             for(int i=0; i<fullExclCnt; i++)
00470                 fullOffset[i] = fullVec[i];
00471         }
00472 
00473         if(modExclCnt>0) {        
00474             modOffset = new int[modExclCnt];
00475             for(int i=0; i<modExclCnt; i++)
00476                 modOffset[i] = modVec[i];       
00477         }
00478     }

void ExclusionSignature::unpack (  MIStream *  msg  ) 
 

Definition at line 8541 of file Molecule.C.

References fullOffset, MIStream::get(), and modOffset.

08541                                             {    
08542     msg->get(fullExclCnt);
08543     delete [] fullOffset;
08544     fullOffset = new int[fullExclCnt];
08545     msg->get(fullExclCnt*sizeof(int), (char *)fullOffset);    
08546     msg->get(modExclCnt);
08547     delete [] modOffset;
08548     modOffset = new int[modExclCnt];
08549     msg->get(modExclCnt*sizeof(int), (char *)modOffset);    
08550 }

Member Data Documentation

int ExclusionSignature::fullExclCnt
 

Definition at line 400 of file structures.h.

Referenced by ExclusionSignature(), operator=(), and operator==().

int* ExclusionSignature::fullOffset
 

Definition at line 401 of file structures.h.

Referenced by ExclusionSignature(), findOffset(), operator=(), operator==(), pack(), removeEmptyOffset(), and unpack().

int ExclusionSignature::modExclCnt
 

Definition at line 402 of file structures.h.

Referenced by ExclusionSignature(), operator=(), and operator==().

int* ExclusionSignature::modOffset
 

Definition at line 403 of file structures.h.

Referenced by ExclusionSignature(), findOffset(), operator=(), operator==(), pack(), removeEmptyOffset(), and unpack().

The documentation for this struct was generated from the following files:
Generated on Mon Sep 8 04:07:46 2008 for NAMD by  doxygen 1.3.9.1