bool
CServices::OpenSettingsDialog()
{
CHECK_THREAD_OWNERSHIP;
Mortimer::COptionSheetLayoutImpl<Mortimer::COptionSelectionLayoutTreeBanner, CCSNOptionSheet> Sheet(_T("Upgradr Settings"));
// retrieve root key for registry
HKEY hKey = NULL;
LONG lRes = RegOpenKeyEx(HKEY_CURRENT_USER, REGISTRY_ROOT_KEY, 0, KEY_ALL_ACCESS, &hKey);
if (lRes != ERROR_SUCCESS)
{
if (RegCreateKey(HKEY_CURRENT_USER, REGISTRY_ROOT_KEY, &hKey))
{
TRACE_E(_T("Cannot create registry key: HKCU\\") REGISTRY_ROOT_KEY);
return false;
}
}
// create storage
Mortimer::CSettingsStorageRegistry storage(hKey, REGISTRY_OPTIONS_KEY);
// load settings from storage
m_Settings.Load(storage);
// fire options dialog
Sheet.SetManagedSettings(&m_Settings, &storage);
if (IDOK!=Sheet.DoModal()) return true;
// if OK pressed, save options into storage
m_Settings.Save(storage);
return true;
}
int main(int argc, char **argv)
{
CHAIN **Chain;
HBOND **HBond;
COMMAND *Cmd;
int Cn, NChain=0, NHBond=0, ValidChain=0;
float **PhiPsiMapHelix, **PhiPsiMapSheet;
register int i;
/* argc = ccommand(&argv); */ /* For Macintosh only, see readme.mac */
Chain = (CHAIN **)ckalloc(MAX_CHAIN*sizeof(CHAIN *));
HBond = (HBOND **)ckalloc(MAXHYDRBOND*sizeof(HBOND *));
Cmd = (COMMAND *)ckalloc(sizeof(COMMAND));
ProcessStrideOptions(argv,argc,Cmd);
if( !ReadPDBFile(Chain,&NChain,Cmd) || !NChain )
die("Error reading PDB file %s\n",Cmd->InputFile);
for( Cn=0; Cn<NChain; Cn++ )
ValidChain += CheckChain(Chain[Cn],Cmd);
/* if( Cmd->Stringent )
* exit(0);
*/
if( !ValidChain )
die("No valid chain in %s\n",Chain[0]->File);
if( Cmd->BrookhavenAsn )
GetPdbAsn(Chain,NChain);
if( Cmd->DsspAsn )
GetDsspAsn(Chain,NChain,Cmd);
BackboneAngles(Chain,NChain);
if( Cmd->OutSeq )
OutSeq(Chain,NChain,Cmd);
if( Cmd->ContactOrder )
ContactOrder(Chain,NChain,Cmd);
if( Cmd->ContactMap )
ContactMap(Chain,NChain,Cmd);
if( !strlen(Cmd->MapFileHelix) )
PhiPsiMapHelix = DefaultHelixMap(Cmd);
else
ReadPhiPsiMap(Cmd->MapFileHelix,&PhiPsiMapHelix,Cmd);
if( !strlen(Cmd->MapFileSheet) )
PhiPsiMapSheet = DefaultSheetMap(Cmd);
else
ReadPhiPsiMap(Cmd->MapFileSheet,&PhiPsiMapSheet,Cmd);
for( Cn=0; Cn<NChain; Cn++ )
PlaceHydrogens(Chain[Cn]);
if( (NHBond = FindHydrogenBonds(Chain,Cn,HBond,Cmd)) == 0 )
die("No hydrogen bonds found in %s\n",Cmd->InputFile);
NoDoubleHBond(HBond,NHBond);
DiscrPhiPsi(Chain,NChain,Cmd);
if(Cmd->ExposedArea)
Area(Chain,NChain,Cmd);
for( Cn=0; Cn<NChain; Cn++ ) {
if( Chain[Cn]->Valid ) {
Helix(Chain,Cn,HBond,Cmd,PhiPsiMapHelix);
for( i=0; i<NChain; i++ )
if( Chain[i]->Valid )
Sheet(Chain,Cn,i,HBond,Cmd,PhiPsiMapSheet);
BetaTurn(Chain,Cn);
GammaTurn(Chain,Cn,HBond);
}
}
Report(Chain,NChain,HBond,Cmd);
if( Cmd->MolScript )
MolScript(Chain,NChain,Cmd);
for( i=0; i<Cn; i++ ) free(Chain[i]);
for( i=0; i<NHBond; i++ ) free(HBond[i]);
free(Cmd);
return(0);
}
