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#include <iostream.h>
#include <qstring.h>
#include <qstringlist.h>
#include <qlist.h>
#include <qtextstream.h>
#include <qfile.h>
#include "chemdata.h"
#include "cdxml_reader.h"
#include "dpoint.h"
#include "text.h"
#include "defs.h"
bool ChemData::load_xml(QString fn) {
QFile f(fn);
if (!f.open(IO_ReadOnly)) {
return false;
}
QTextStream t(&f);
// Read entire file to string
QString wholefile = t.read();
// We're done with the file. Close it
f.close();
// trasfer control to process_xml()
return ProcessXML(wholefile);
}
// if you have already read in a file (e.g., from network), call this
bool ChemData::ProcessXML(QString wholefile) {
QString line;
QString doctype, thistag, nexttag, cml_doctype, cdxml_doctype, xdc_doctype;
QStringList tokens, refs;
int d1, d2, d3, ptr = 0, cml_type = 0;
//double l1, l2, l3, l4;
// clear all lists
CML_Atoms.clear();
CML_Atoms_Sub.clear();
CML_Bonds.clear();
CML_Bonds_Sub.clear();
CDXML_Objects.clear();
// kludge!
cml_doctype = QString("idgniosdnvi");
cdxml_doctype = QString("idgniosdnvi");
xdc_doctype = QString("idgniosdnvi");
do {
thistag = ReadTag(wholefile, ptr);
// ReadTag returns a null at EOF (ideally).
if (thistag.isNull()) break;
// check for 'special' tags...
// continue past <?xml...> tag
if (thistag.find(QString("?xml")) >= 0) continue;
// but we really want the <!DOCTYPE...> tag
if (thistag.find(QString("!DOCTYPE")) >= 0) {
// read the actual document type
d1 = thistag.find(QString("!DOCTYPE"));
d2 = thistag.find(QString(" "), d1);
d3 = thistag.find(QString(" "), d2 + 1);
doctype = thistag.mid(d2 + 1, d3 - d2 - 1);
if (thistag.upper().find("CML.DTD") >= 0) cml_type = 1;
if (thistag.upper().find("CML-1999-05-15") >= 0) cml_type = 1;
if (thistag.upper().find("CDXML.DTD") >= 0) cml_type = 2;
if (thistag.upper().find("XDRAWCHEM-1") >= 0) cml_type = 3;
if (cml_type == 1) cml_doctype = doctype;
if (cml_type == 2) cdxml_doctype = doctype;
if (cml_type == 3) xdc_doctype = doctype;
if (cml_type == 0) {
return false;
}
continue;
}
// Extract CML documents, pass to LoadCMLFile
if (thistag.find(QString("<") + cml_doctype) >= 0) {
d1 = ptr - thistag.length();
d2 = wholefile.find(QString("</") + cml_doctype + QString(">"), ptr) +
3 + cml_doctype.length();
LoadCMLFile(wholefile.mid(d1, d2 - d1), cml_doctype);
wholefile.remove(d1, d2 - d1);
}
// Extract CDXML documents, pass to LoadCDXMLFile
if (thistag.find(QString("<") + cdxml_doctype) >= 0) {
// test functionality
CDXML_Reader reader(this);
reader.ReadFile(wholefile);
// end test
d1 = ptr - thistag.length();
d2 = wholefile.find(QString("</") + cdxml_doctype + QString(">"), ptr) +
3 + cml_doctype.length();
//LoadCDXMLFile(wholefile.mid(d1, d2 - d1), cdxml_doctype);
wholefile.remove(d1, d2 - d1);
}
// Extract native (XDC) documents, pass to load_native()
// note that native documents expect <xdrawchem>...</xdrawchem>
// and that this pair should contain all elements in the document
if (thistag.find(QString("<") + xdc_doctype) >= 0) {
d1 = ptr - thistag.length();
d2 = wholefile.find(QString("</") + xdc_doctype + QString(">"), ptr) +
3 + cml_doctype.length();
load_native( wholefile.mid(d1, d2 - d1) );
wholefile.remove(d1, d2 - d1);
}
} while (ptr < wholefile.length());
r->repaint();
return true;
}
// *****************************
// General XML parsing functions
// *****************************
// function to see if tag is 'self-contained', i.e.:
// <bond>data</bond> returns false
// <bond data="x"/> returns true
// (returns true if tag ends in "/>"
bool ChemData::SelfContainedTag(QString tag) {
if (tag.right(2) == "/>")
return true;
else
return false;
}
// function to extract tags from stream
QString ChemData::ReadTag(QString f, int &ptr) {
int t1 = f.find("<", ptr);
ptr = t1;
int t2 = f.find(">", ptr);
ptr = t2 + 1;
return f.mid(t1, ptr - t1).ascii();
}
// function to extract data between tags
QString ChemData::ReadData(QString f, int &ptr) {
int t1 = f.find("<", ptr);
return f.mid(ptr, t1 - ptr);
}
// function to extract attributes from tag
// Return format: list item 0=first attribute, 1=value of first attribute,
// 2=second attribute, 3=value of second attribute, you get it, right?
QStringList ChemData::ReadAttr(QString tag) {
QStringList l1;
QString attr;
QString a1, v1;
int t1, eq1, te;
// where to start tokenizing
int ptr = tag.find(QString(" "));
// where to end tokenizing
int eol = tag.find(QString(">"));
do {
while (tag[ptr].isSpace()) { ptr++; }
t1 = tag.find(QString("\""), ptr);
te = tag.find(QString("\""), t1 + 1);
attr = tag.mid(ptr, te - ptr + 1);
ptr = te + 1;
eq1 = attr.find(QString("="));
a1 = attr.left(eq1);
v1 = attr.right(attr.length() - eq1 - 1);
v1 = v1.mid(1, v1.length() - 2);
if (a1.find(QString(">")) >= 0) break; // end of tags
//cout << "[" << a1 << "=" << v1 << "]" << endl;
l1.append(a1); l1.append(v1);
} while (ptr < eol);
return l1;
}
// function to tokenize
QStringList ChemData::Tokenize(QString tag) {
QStringList l1;
QString a1, tag1;
int t1;
// strip leading and trailing white space
tag1 = tag.simplifyWhiteSpace();
// where to start tokenizing
int ptr = 0;
// where to end tokenizing
int eol = tag1.findRev(QString(" "));
do {
t1 = tag1.find(QString(" "), ptr);
a1 = tag1.mid(ptr, t1 - ptr);
ptr = t1 + 1;
l1.append(a1);
cout << "[" << a1 << "]" << endl;
} while (ptr < eol);
a1 = tag1.mid(ptr);
l1.append(a1);
return l1;
}
// ParseBoundingBox(): parse CDXML BoundingBox element.
void ChemData::ParseBoundingBox(QString BBox, double &x1, double &y1,
double &x2, double &y2) {
int s1 = BBox.find(QString(" "), 0);
int s2 = BBox.find(QString(" "), s1 + 1);
int s3 = BBox.find(QString(" "), s2 + 1);
//cout << BBox.mid(0, s1) << "|";
//cout << BBox.mid(s1 + 1, s2 - s1) << "|";
//cout << BBox.mid(s2 + 1, s3 - s2) << "|";
//cout << BBox.mid(s3 + 1) << "|" << endl;
x1 = BBox.mid(0, s1).toDouble();
y1 = BBox.mid(s1 + 1, s2 - s1).toDouble();
x2 = BBox.mid(s2 + 1, s3 - s2).toDouble();
y2 = BBox.mid(s3 + 1).toDouble();
}
// *********************
// end parsing functions
// *********************
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