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#include <iostream.h>
#include <qobject.h>
#include <qlist.h>
#include "drawable.h"
#include "molecule.h"
#include "bond.h"
#include "arrow.h"
#include "curvearrow.h"
#include "bracket.h"
#include "text.h"
#include "symbol.h"
#include "chemdata.h"
#include "defs.h"
ChemData::ChemData(Clipboard *clipin, QObject *parent, const char *name)
: QObject(parent, name)
{
clip = clipin;
}
void ChemData::drawAll() {
// draw all objects in ChemData
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
tmp_draw->Render();
}
}
void ChemData::addArrow(DPoint *s, DPoint *e, QColor c, int t, bool hl) {
Arrow *a1 = new Arrow(r);
a1->setPoints(s, e);
a1->SetColor(c);
a1->SetStyle(t);
if (hl) a1->Highlight(true);
drawlist.append(a1);
}
void ChemData::addCurveArrow(DPoint *s, DPoint *e, QColor c, QString s1,
bool hl) {
CurveArrow *a1 = new CurveArrow(r);
a1->setPoints(s, e);
a1->SetColor(c);
a1->SetCurve(s1);
if (hl) a1->Highlight(true);
drawlist.append(a1);
}
void ChemData::addBracket(DPoint *s, DPoint *e, QColor c, int type, bool hl) {
Bracket *a1 = new Bracket(r);
a1->setPoints(s, e);
a1->SetColor(c);
a1->SetStyle(type);
if (hl) a1->Highlight(true);
drawlist.append(a1);
}
void ChemData::addText(Text *t) {
if (t->Justify() == JUSTIFY_TOPLEFT) { // add to drawing
drawlist.append(t);
} else { // add label to specific Molecule
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
if (tmp_draw->Find(t->Start()) == true) {
Molecule *tm = (Molecule *)tmp_draw; // this is cheating, I know!
tm->addText(t);
return;
}
}
}
}
void ChemData::addBond(DPoint *s, DPoint *e, int thick, int order,
QColor c, bool hl) {
//cout << "Request to add bond:" << endl;
//cout << "(" << s->x << "," << s->y << ")-(" << e->x << "," << e->y << ")";
//cout << endl;
Drawable *m1 = 0, *m2 = 0;
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
if (tmp_draw->Find(s) == true) m1 = tmp_draw;
if (tmp_draw->Find(e) == true) m2 = tmp_draw;
}
// neither point exists -- create new Molecule
if ( (m1 == 0) && (m2 == 0) ) {
Molecule *m = new Molecule(r);
m->SetChemdata(this);
m->addBond(s, e, thick, order, c, hl);
drawlist.append(m);
return;
}
// one point exists, or both in same molecule
if ( (m1 == 0) && (m2 != 0) ) {
m1 = m2; m2 = 0;
}
if ( ( (m1 != 0) && (m2 == 0) ) || (m1 == m2) ) {
m1->addBond(s, e, thick, order, c, hl);
return;
}
// both points exist in different molecules
if (m1 != m2) {
m1->addBond(s, e, thick, order, c, hl);
m1->addMolecule(m2);
drawlist.remove(m2);
delete m2;
}
}
void ChemData::addSymbol(DPoint *a, QString symbolfile) {
Molecule *m1;
Symbol *s1 = new Symbol(r);
s1->setPoint(a);
s1->SetSymbol(symbolfile);
// determine whether point exists or not; if exists, add to Molecule
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
if ( (tmp_draw->Find(a) == true) && (tmp_draw->Type() == TYPE_MOLECULE) ) {
m1 = (Molecule *)tmp_draw;
m1->addSymbol(s1);
return;
}
}
drawlist.append(s1);
}
DPoint * ChemData::FindNearestPoint(DPoint *target, double &dist) {
DPoint *nearest = 0, *d1;
double mindist = 9999.0, d1dist = 999999.0;
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
d1 = tmp_draw->FindNearestPoint(target, d1dist);
if (d1dist < mindist) { mindist = d1dist; nearest = d1; }
}
dist = mindist;
return nearest;
}
Drawable * ChemData::FindNearestObject(DPoint *target, double &dist) {
Drawable *nearest = 0, *d1;
double mindist = 2000.0, d1dist = 999999.0;
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
d1 = tmp_draw->FindNearestObject(target, d1dist);
if (d1dist < mindist) { mindist = d1dist; nearest = d1; }
}
dist = mindist;
return nearest;
}
void ChemData::Erase(Drawable *d) {
QList<Drawable> removelist;
QList<Molecule> split_list;
/*
if (d->Type() == TYPE_TEXT) {
Text *tmp_text = (Text *)d;
if (tmp_text->getDataType() == TEXT_DATA_MW) {
tmp_text->getMolecule()->MWLabelDeleted();
}
if (tmp_text->getDataType() == TEXT_DATA_FORMULA) {
tmp_text->getMolecule()->FormulaLabelDeleted();
}
}
*/
if (drawlist.remove(d) == false) {
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
tmp_draw->Erase(d);
// collect empty Molecules for removal
if (tmp_draw->Members() == 0) removelist.append(tmp_draw);
}
} else { // drawlist.remove(d) == true
delete d;
}
// remove empty Molecules
for (tmp_draw = removelist.first(); tmp_draw != NULL;
tmp_draw = removelist.next() ) {
drawlist.remove(tmp_draw);
delete tmp_draw;
}
// Split Molecules as needed
DetectSplit();
}
void ChemData::EraseSelected() {
Molecule *m;
QList<Drawable> removelist;
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
if (tmp_draw->Type() == TYPE_MOLECULE) {
m = (Molecule *)tmp_draw;
m->EraseSelected();
// collect empty Molecules for removal
if (tmp_draw->Members() == 0) removelist.append(tmp_draw);
} else {
if (tmp_draw->Highlighted() == true) {
removelist.append( tmp_draw );
}
}
}
for (tmp_draw = removelist.first(); tmp_draw != NULL;
tmp_draw = removelist.next() ) {
/*
if (tmp_draw->Type() == TYPE_TEXT) {
Text *tmp_text = (Text *)tmp_draw;
if (tmp_text->getDataType() == TEXT_DATA_MW) {
tmp_text->getMolecule()->MWLabelDeleted();
}
if (tmp_text->getDataType() == TEXT_DATA_FORMULA) {
tmp_text->getMolecule()->FormulaLabelDeleted();
}
}
*/
drawlist.remove(tmp_draw);
delete tmp_draw;
}
// Split Molecules as needed
DetectSplit();
}
// Split Molecule's which hold multiple structures (e.g. after delete)
void ChemData::DetectSplit() {
QList<Drawable> removelist;
QList<Molecule> split_list;
Molecule *tmp_mol;
Drawable *td2;
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
if (tmp_draw->Type() == TYPE_MOLECULE) {
tmp_mol = (Molecule *)tmp_draw;
split_list = tmp_mol->MakeSplit();
if (split_list.count() > 1) {
cout << "Split needed" << endl;
removelist.append(tmp_draw);
for (td2 = split_list.first(); td2 != NULL; td2 = split_list.next()) {
drawlist.append(td2);
}
split_list.clear();
}
}
}
// remove old Molecules
for (tmp_draw = removelist.first(); tmp_draw != NULL;
tmp_draw = removelist.next() ) {
drawlist.remove(tmp_draw);
delete tmp_draw;
}
}
void ChemData::SelectAll(void) {
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next())
tmp_draw->SelectAll();
}
void ChemData::DeselectAll(void) {
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next())
tmp_draw->DeselectAll();
}
void ChemData::SetColorIfHighlighted(QColor c) {
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next())
tmp_draw->SetColorIfHighlighted(c);
}
void ChemData::Move(double dx, double dy) {
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next())
tmp_draw->Move(dx, dy);
}
void ChemData::Resize(DPoint *d1, double dy) {
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next())
tmp_draw->Resize(d1, dy);
}
void ChemData::Rotate(DPoint *d1, double dy) {
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next())
tmp_draw->Rotate(d1, dy);
}
void ChemData::Flip(DPoint *d1, int dy) {
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next())
tmp_draw->Flip(d1, dy);
}
// Find minimum rectangle needed to enclose selection
QRect ChemData::selectionBox() {
int top = 99999, bottom = 0, left = 99999, right = 0;
QRect tmprect;
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
tmprect = tmp_draw->BoundingBox();
cout << tmprect.width() << "X" << tmprect.height() << endl;
if (tmprect.isValid()) {
if (tmprect.left() < left) left = tmprect.left();
if (tmprect.right() > right) right = tmprect.right();
if (tmprect.top() < top) top = tmprect.top();
if (tmprect.bottom() > bottom) bottom = tmprect.bottom();
}
}
left -= 3; right += 5; top -= 3; bottom += 3;
if (left < 0) left = 0;
if (top < 0) top = 0;
return QRect( QPoint(left,top), QPoint(right,bottom) );
}
// when doing multiple selection via MODE_SELECT_MULTIPLE, we will
// have to highlight/unhighlight regions of the drawing as the selection
// box changes. This function is called to start checking whether objects
// fall within the select box.
void ChemData::NewSelectRect(QRect n, bool shiftdown) {
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
tmp_draw->WithinRect(n, shiftdown);
}
}
// Get list of unique points contained in all Molecules.
QList<DPoint> ChemData::UniquePoints() {
QList<DPoint> up, tp;
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
tp = tmp_draw->AllPoints();
for (tmp_pt = tp.first(); tmp_pt != NULL; tmp_pt = tp.next() )
up.append(tmp_pt);
}
cout << up.count() << endl;
return up;
}
QList<Drawable> ChemData::UniqueObjects() {
QList<Drawable> uo, to;
Drawable *td2;
for (tmp_draw = drawlist.first(); tmp_draw != NULL;
tmp_draw = drawlist.next()) {
to = tmp_draw->AllObjects();
for (td2 = to.first(); td2 != NULL; td2 = to.next() )
uo.append(td2);
}
cout << uo.count() << endl;
return uo;
}
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