/*F prioritylist = CollectElementsOfPriority(fullspec,priority)
**
** DESCRIPTION
** fullspec: the full structural specification
** priority: The current priority to isolate
** prioritylist: The indicies of elements (repeated, see below)
**
** REMARKS
**
** This isolates the set of structural elements of the same priority.
** In addition, each element is repeated according to the minimum and
** the maximum number of that element. This means the number of this
** substructure that will appear in the final structure is determined
** at this stage.
**
**
** REFERENCES
**
** SEE ALSO
**
** HEADERFILE
**
*/
static DataSubSet *CollectElementsOfPriority(FullMoleculeSpecification *fullspec,INT priority) {
DataSubSet *priorityelements;
FullStructuralElement *element;
DataSubSet *priorityset;
INT piter,eiter,elementpriority;
INT i,maxcount,num;
double fnum,fmin,fmax;
double fr,frr;
maxcount = fullspec->NumberOfElements*20;
priorityelements = AllocateDataSubSet;
CreateDataSubSet(priorityelements,fullspec->ID,fullspec->Name,
fullspec->NumberOfElements,maxcount,0);
priorityelements->NumberOfPoints = 0;
element = fullspec->FullStructuralElements;
for(eiter=0;eiter<fullspec->NumberOfElements;eiter++) {
elementpriority = element->Info->Priority;
if(elementpriority == priority) {
fmin = (double) element->Info->Minimum;
fmax = (double) element->Info->Maximum;
num = element->Info->Minimum + PickPoint(element->Info->Maximum - element->Info->Minimum);
num = element->Info->Minimum + PickPoint(element->Info->Maximum - element->Info->Minimum);
num = element->Info->Minimum + PickPoint(element->Info->Maximum - element->Info->Minimum);
num = element->Info->Minimum + PickPoint(element->Info->Maximum - element->Info->Minimum);
num = element->Info->Minimum + PickPoint(element->Info->Maximum - element->Info->Minimum);
for(i=0;i<num;i++) {
*(priorityelements->Points + priorityelements->NumberOfPoints) = eiter;
priorityelements->NumberOfPoints++;
}
}
element++;
}
return priorityelements;
}
/*F AddStructureNext(currentstructure,element)
**
** DESCRIPTION
** currentstructure: The current structure to add to
** element: The structural element to add
**
** REMARKS
**
** This connects the current structure with the structural element
** to form a new currentstructure
**
**
** REFERENCES
**
** SEE ALSO
**
** HEADERFILE
**
*/
static void AddStructureNext(CurrentStructure *currentstructure,
FullStructuralElement *element){
INT currentattach, structureattach,replacepoint,replacepointC;
CombinedGraph *combined,*newcombined;
AttachmentRemoved *currentR,*elementR;
CurrentStructure *elementcurrent;
INT a1,a2,offset;
Neighbor *n1,*n2;
currentattach = PickPoint(currentstructure->Attachments->NumberOfPoints);
structureattach = PickPoint(element->Connections->NumberOfPoints);
elementcurrent = AllocateCurrentStructure;
CreateCurrentStructure(elementcurrent,currentstructure->ID,currentstructure->Name,
0,element->MoleculeGraph,element->Connections);
/*
PrintPrettyGraph("current: ",stdout,currentstructure->Structure);
PrintPrettyDataSubSet(stdout,"Attachments: ",currentstructure->Attachments);
PrintPrettyGraph("element: ",stdout,element->MoleculeGraph);
PrintPrettyDataSubSet(stdout,"Attachments: ",elementcurrent->Attachments);
*/
replacepoint = *(elementcurrent->Attachments->Points + structureattach);
replacepointC = *(currentstructure->Attachments->Points + currentattach);
printf("Remove: Element (%d,%d,%d), Current(%d,%d,%d)\n",
replacepoint,structureattach,element->Connections->NumberOfPoints,
replacepointC,currentattach,currentstructure->Attachments->NumberOfPoints);
currentR = RemoveAttachment(currentstructure,currentattach);
elementR = RemoveAttachment(elementcurrent,structureattach);
/* PrintPrettyGraph("currentR: ",stdout,currentR->Structure);
PrintPrettyGraph("elementR: ",stdout,elementR->Structure);
*/
offset = currentR->Structure->NumberOfNodes;
combined = AllocateCombinedGraph;
CreateCombinedGraph(combined,currentstructure->ID,currentstructure->Name,
currentR->Structure,
1,0);
*(combined->Begins) = 0;
newcombined = AddGraphToCombined(elementR->Structure,combined);
a1 = currentR->Attachment;
a2 = elementR->Attachment + offset;
n1 = newcombined->Combined->Neighbors + a1;
n2 = newcombined->Combined->Neighbors + a2;
AddElementToNeighbor(a1,n2);
AddElementToNeighbor(a2,n1);
FreeGraph(currentstructure->Structure);
CopyFullGraph(currentstructure->Structure,newcombined->Combined);
/*
PrintPrettyGraph("newcombined with bond: ",stdout,currentstructure->Structure);
*/
offset = *(newcombined->Begins +1);
AdjustAttachmentPointsOfNewElement(offset,replacepoint,replacepointC,elementcurrent,currentstructure);
}
/*F next = PickNextStructureToAdd(priorityelements);
**
** DESCRIPTION
** priorityelements: The indicies of structures to add (repeated)
** next: The index of the next element to add
**
** REMARKS
**
** This randomly picks one of the structural elements
**
**
** REFERENCES
**
** SEE ALSO
**
** HEADERFILE
**
*/
static INT PickNextStructureToAdd(DataSubSet *priorityelements) {
INT index,point;
DataSubSet *nextlist;
index = PickPoint(priorityelements->NumberOfPoints);
point = *(priorityelements->Points + index);
nextlist = RemoveI(index,priorityelements);
FreeDataSubSet(priorityelements);
CopyFullDataSubSet(priorityelements,nextlist);
FreeDataSubSet(nextlist);
Free(nextlist);
return point;
}
JNIEXPORT void JNICALL Java_JavaGL_pickPoint( JNIEnv *env, jobject object, jint x, jint y )
{
PickPoint( x, y );
}
