public static void getMolImg(ICswResources CswResources, MolDataReturn Return, MolData ImgData)
{
string molData = ImgData.molString;
string nodeId = ImgData.nodeId;
string base64String = "";
CswNbtResources NbtResources = (CswNbtResources)CswResources;
if (String.IsNullOrEmpty(molData) && false == String.IsNullOrEmpty(nodeId)) //if we only have a nodeid, get the mol text from the mol property if there is one
{
CswPrimaryKey pk = CswConvert.ToPrimaryKey(nodeId);
CswNbtNode node = NbtResources.Nodes[pk];
CswNbtMetaDataNodeTypeProp molNTP = node.getNodeType().getMolProperty();
if (null != molNTP)
{
molData = node.Properties[molNTP].AsMol.getMol();
}
}
if (false == String.IsNullOrEmpty(molData))
{
//If the Direct Structure Search module is enabled, use the AcclDirect methods to generate an image. Otherwise, use the legacy code.
byte[] bytes =
(NbtResources.Modules.IsModuleEnabled(CswEnumNbtModuleName.DirectStructureSearch) ?
NbtResources.AcclDirect.GetImage(molData) :
CswStructureSearch.GetImage(molData));
base64String = Convert.ToBase64String(bytes);
}
ImgData.molImgAsBase64String = base64String;
ImgData.molString = molData;
Return.Data = ImgData;
}
public void saveMol(string MolString, string PropId, out string Href, out string FormattedMolString, out string errorMsg, bool PostChanges = true, CswNbtNode Node = null)
{
CswPropIdAttr PropIdAttr = new CswPropIdAttr(PropId);
CswNbtMetaDataNodeTypeProp MetaDataProp = _CswNbtResources.MetaData.getNodeTypeProp(PropIdAttr.NodeTypePropId);
//Case 29769 - enforce correct mol file format
FormattedMolString = MoleculeBuilder.FormatMolFile(MolString);
errorMsg = string.Empty;
Href = string.Empty;
if (null == Node)
{
Node = _CswNbtResources.Nodes[PropIdAttr.NodeId];
}
if (null != Node)
{
CswNbtNodePropMol molProp = Node.Properties[MetaDataProp];
if (null != molProp)
{
molProp.setMol(FormattedMolString);
//If DirectStructureSearch is enabled, use the new code to generate an image. Otherwise, use the legacy code.
byte[] molImage =
(_CswNbtResources.Modules.IsModuleEnabled(CswEnumNbtModuleName.DirectStructureSearch) ?
_CswNbtResources.AcclDirect.GetImage(FormattedMolString) :
CswStructureSearch.GetImage(FormattedMolString));
CswNbtSdBlobData SdBlobData = new CswNbtSdBlobData(_CswNbtResources);
Href = CswNbtNodePropMol.getLink(molProp.JctNodePropId, Node.NodeId);
//Save the mol image to blob_data
SdBlobData.saveFile(PropId, molImage, CswNbtNodePropMol.MolImgFileContentType, CswNbtNodePropMol.MolImgFileName, out Href, Int32.MinValue, PostChanges, Node: Node);
//case 28364 - calculate fingerprint and save it
_CswNbtResources.StructureSearchManager.InsertFingerprintRecord(PropIdAttr.NodeId.PrimaryKey, FormattedMolString, out errorMsg);
}
}
}
