public List <LabelEditorItem> GetNames(out int maxId)
{
// <cml:name dictRef="nameDict:generic">ester</cml:name>
// Initialise output parameters
maxId = 0;
List <XmlNode> list = GetNames();
List <LabelEditorItem> items = new List <LabelEditorItem>();
foreach (XmlNode node in list)
{
LabelEditorItem editorItem = new LabelEditorItem();
string id = GetAttributeValue(node, Id);
if (!string.IsNullOrEmpty(id))
{
editorItem.Id = id;
int n;
if (int.TryParse(id.Substring(1), out n))
{
maxId = Math.Max(maxId, n);
}
}
string dictRefValue = GetAttributeValue(node, DictRef);
editorItem.Attribute = dictRefValue;
editorItem.Value = node.InnerText;
items.Add(editorItem);
}
foreach (LabelEditorItem item in items)
{
if (string.IsNullOrEmpty(item.Id))
{
maxId++;
item.Id = "n" + maxId;
}
}
return(items);
}
public List <LabelEditorItem> GetFormulae(out int maxId, out string conciseFormula)
{
// Variations of formula we need to cope with ...
// <formula concise="C 5 H 10 O 2"/>
// <cml:formula inline="AcOMe" concise="C 2 H 6 O 2" />
// <formula convention="pubchem:formula" inline="C4H9NO2" concise="C 4 H 9 N 1 O 2" />
// <formula convention="pubchem:CanonicalSmiles" inline="C(CC(=O)O)CN" concise="C 4 H 9 N 1 O 2" />
// <formula convention="pubchem:IsomericSmiles" inline="C(CC(=O)O)CN" concise="C 4 H 9 N 1 O 2" />
// Initialise output parameters
maxId = 0;
conciseFormula = "";
List <XmlNode> list = GetFormulae();
List <LabelEditorItem> items = new List <LabelEditorItem>();
foreach (XmlNode node in list)
{
string concise = GetAttributeValue(node, Concise);
// Only grab 1st concise formula
if (string.IsNullOrEmpty(conciseFormula) &&
!string.IsNullOrEmpty(concise))
{
conciseFormula = concise;
}
// Count attributes which are not concise formula and are not empty
int count = 0;
foreach (XmlAttribute attribute in node.Attributes)
{
if (!attribute.Name.Equals(Concise) &&
!string.IsNullOrEmpty(attribute.Value))
{
count++;
}
}
if (count > 0)
{
LabelEditorItem editorItem = new LabelEditorItem();
string id = GetAttributeValue(node, Id);
if (!string.IsNullOrEmpty(id))
{
editorItem.Id = id;
int n;
if (int.TryParse(id.Substring(1), out n))
{
maxId = Math.Max(maxId, n);
}
}
string inline = GetAttributeValue(node, Inline);
if (!string.IsNullOrEmpty(inline))
{
editorItem.Value = inline;
}
string convention = GetAttributeValue(node, Convention);
if (!string.IsNullOrEmpty(convention))
{
editorItem.Attribute = convention;
}
items.Add(editorItem);
}
}
foreach (LabelEditorItem item in items)
{
if (string.IsNullOrEmpty(item.Id))
{
maxId++;
item.Id = "f" + maxId;
}
}
return(items);
}
