void CXTPMarkupGrid::ValidateCells()
{
SAFE_DELETE_AR(m_pCellCachesCollection);
m_pCellCachesCollection = new CELLCACHE[GetChildren()->GetCount()];
m_nCellGroup[0] = INT_MAX;
m_nCellGroup[1] = INT_MAX;
m_nCellGroup[2] = INT_MAX;
m_nCellGroup[3] = INT_MAX;
BOOL flag = FALSE;
BOOL flag2 = FALSE;
BOOL flag3 = FALSE;
for (int i = GetChildren()->GetCount() - 1; i >= 0; i--)
{
CXTPMarkupUIElement* pElement = GetChildren()->GetItem(i);
if (!pElement)
continue;
CELLCACHE& cache = m_pCellCachesCollection[i];
cache.nColumnIndex = min(GetColumn(pElement), m_pDefinitionsU->GetCount() - 1);
cache.nRowIndex = min(GetRow(pElement), m_pDefinitionsV->GetCount() - 1);
cache.nColumnSpan = min(GetColumnSpan(pElement), m_pDefinitionsU->GetCount() - cache.nColumnIndex);
cache.nRowSpan = min(GetRowSpan(pElement), m_pDefinitionsV->GetCount() - cache.nRowIndex);
cache.nSizeTypeU = GetLengthTypeForRange(m_pDefinitionsU, cache.nColumnIndex, cache.nColumnSpan);
cache.nSizeTypeV = GetLengthTypeForRange(m_pDefinitionsV, cache.nRowIndex, cache.nRowSpan);
flag |= cache.IsStarU();
flag2 |= cache.IsStarV();
if (!cache.IsStarV())
{
if (!cache.IsStarU())
{
cache.nNext = m_nCellGroup[0];
m_nCellGroup[0] = i;
}
else
{
cache.nNext = m_nCellGroup[2];
m_nCellGroup[2] = i;
flag3 |= cache.IsAutoV();
}
}
else if (cache.IsAutoU() && !cache.IsStarU())
{
cache.nNext = m_nCellGroup[1];
m_nCellGroup[1] = i;
}
else
{
cache.nNext = m_nCellGroup[3];
m_nCellGroup[3] = i;
}
}
m_bHasStarCellsU = flag;
m_bHasStarCellsV = flag2;
m_bHasGroup2CellsInAutoRows = flag3;
}
int CXTPSyntaxEditSectionManager::GetSectionKeyList(CXTPSyntaxEditSchemaFileInfoList& infoList, LPCTSTR lpszFilePath, LPCTSTR lpszSectionName)
{
TCHAR* pszBuffer = NULL;
int nMaxSize = 1024;
for (;;)
{
pszBuffer = new TCHAR[nMaxSize];
long lSize = ::GetPrivateProfileSection(lpszSectionName, pszBuffer, nMaxSize, lpszFilePath);
if ((lSize > 0) && (lSize == (nMaxSize - 2)))
{
nMaxSize *= 2;
SAFE_DELETE_AR(pszBuffer);
}
else
{
nMaxSize = lSize;
break;
}
}
CString csBuffer;
for (int i = 0; i < nMaxSize; i++)
{
if (pszBuffer[i] != '\0')
{
csBuffer += pszBuffer[i];
}
else
{
if (!csBuffer.IsEmpty())
{
XTP_EDIT_SCHEMAFILEINFO info;
ParseSectionKey(info, csBuffer);
infoList.AddHead(info);
csBuffer.Empty();
}
}
}
SAFE_DELETE_AR(pszBuffer);
return (int)infoList.GetCount();
}
CXTPMarkupGrid::~CXTPMarkupGrid()
{
MARKUP_RELEASE(m_pColumnDefinitions);
MARKUP_RELEASE(m_pRowDefinitions);
SAFE_DELETE_AR(m_pCellCachesCollection);
MARKUP_RELEASE(m_pDefinitionsU);
MARKUP_RELEASE(m_pDefinitionsV);
}
int CXTPSyntaxEditSectionManager::GetSectionNames(CStringArray& arSections, LPCTSTR lpszFilePath)
{
TCHAR* pszBuffer = NULL;
int nMaxSize = 1024;
for (;;)
{
pszBuffer = new TCHAR[nMaxSize];
long lSize = ::GetPrivateProfileSectionNames(pszBuffer, nMaxSize, lpszFilePath);
if ((lSize > 0) && (lSize == (nMaxSize - 2)))
{
nMaxSize *= 2;
SAFE_DELETE_AR(pszBuffer);
}
else
{
nMaxSize = lSize;
break;
}
}
CString csBuffer;
for (int i = 0; i < nMaxSize; i++)
{
if (pszBuffer[i] != '\0')
{
csBuffer += pszBuffer[i];
}
else
{
if (!csBuffer.IsEmpty())
{
arSections.Add(csBuffer);
csBuffer.Empty();
}
}
}
SAFE_DELETE_AR(pszBuffer);
return (int)arSections.GetSize();
}
CXTPTabManager::ROW_ITEMS* CXTPTabManager::CRowIndexer::CreateIndexer(int nRowCount)
{
if (m_nRowCount != nRowCount)
{
SAFE_DELETE_AR(m_pRowItems);
m_pRowItems = new ROW_ITEMS[nRowCount];
m_nRowCount = nRowCount;
}
if (nRowCount > 0)
{
m_pRowItems[0].nFirstItem = 0;
m_pRowItems[0].nLastItem = m_pManager->GetItemCount() - 1;
}
return m_pRowItems;
}
LPBYTE CDequeEx::GetValidPacket(LPDWORD dwPacketSize)
{
if(size() < m_dwPreLen)
{
return FALSE;
}
LPBYTE pBegin = Get(0, m_dwPreLen);
DWORD dwLen = 0;
memcpy(&dwLen, pBegin, m_dwPreLen);
SAFE_DELETE_AR(pBegin);
if(dwLen + m_dwPreLen > size())
{
return FALSE;
}
//
pBegin = Get(m_dwPreLen, dwLen);
if(pBegin)
{
Pop(dwLen + m_dwPreLen);
*dwPacketSize = dwLen;
}
return pBegin;
}
CDequeEx::~CDequeEx(void)
{
SAFE_DELETE_AR(m_pBuffer);
}
HRESULT CProteinSurfaceMSMS::CreateSurface()
{
HRESULT hr;
GetMainActiveView()->ResetProgress();
m_arrayAtom.clear();
m_arrayAtom.reserve(m_pChain->m_arrayAtom.size());
for ( int i = 0 ; i < m_pChain->m_arrayAtom.size(); i++ )
{
if ( m_bAddHETATM == TRUE )
{
m_arrayAtom.push_back(m_pChain->m_arrayAtom[i]);
}
else
{
if ( m_pChain->m_arrayAtom[i]->m_bHETATM == FALSE )
m_arrayAtom.push_back(m_pChain->m_arrayAtom[i]);
}
}
if ( m_arrayAtom.size() == 0 )
return E_FAIL;
char drive[_MAX_DRIVE];
char dir[_MAX_DIR];
char fname[_MAX_FNAME];
char ext[_MAX_EXT];
_splitpath(m_pPDB->m_strFilename, drive, dir, fname, ext );
CString strSurfaceDir = GetMainApp()->m_strBaseSurfacePath;
m_arrayVertex.clear();
m_arrayNormal.clear();
m_arrayIndexFace.clear();
m_arrayIndexAtom.clear();
m_arrayTypeVertex.clear();
m_arrayTypeFace.clear();
m_ArrayArrayFaceIndex.clear();
m_ArrayArrayAdjacentVertex.clear();
m_arrayVertex.reserve(m_arrayAtom.size());
m_arrayNormal.reserve(m_arrayAtom.size());
m_arrayIndexFace.reserve(m_arrayAtom.size());
m_arrayIndexAtom.reserve(m_arrayAtom.size());
m_arrayTypeVertex.reserve(m_arrayAtom.size());
m_arrayTypeFace.reserve(m_arrayAtom.size());
CString outputName;
outputName.Format ( _T("%s%s_%02d_%c_%03d_%.2f_%d_%d_%d") , strSurfaceDir, fname, m_modelID, m_chainID, m_arrayAtom.size(), m_probeSphere, m_surfaceQuality , m_bAddHETATM , GetTypeGenSurface() );
CString outputFilenameVertex = outputName + _T(".vert");
CString outputFilenameFace = outputName + _T(".face");
BOOL bExistSurface = FALSE;
HANDLE fileVert = CreateFile( outputFilenameVertex, GENERIC_READ, FILE_SHARE_READ, NULL, OPEN_EXISTING, 0, NULL );
HANDLE fileFace = CreateFile( outputFilenameFace, GENERIC_READ, FILE_SHARE_READ, NULL, OPEN_EXISTING, 0, NULL );
if( INVALID_HANDLE_VALUE != fileVert && INVALID_HANDLE_VALUE != fileFace )
{
bExistSurface = TRUE;
}
if ( fileVert != INVALID_HANDLE_VALUE ) CloseHandle(fileVert);
if ( fileFace != INVALID_HANDLE_VALUE ) CloseHandle(fileFace);
if ( bExistSurface == FALSE )
{
long iProgress = GetMainActiveView()->InitProgress(100);
GetMainActiveView()->SetProgress(0, iProgress );
// Make xyzr file
CString coordFilename;
coordFilename.Format ( _T("%s%s_%02d_%c_%03d_%d.xyzr") , strSurfaceDir , fname, m_modelID, m_chainID, m_arrayAtom.size() , m_bAddHETATM );
CString strCoord;
strCoord.Preallocate(m_arrayAtom.size()*50);
for ( int i = 0 ; i < m_arrayAtom.size() ; i++ )
{
CAtom * pAtom = m_arrayAtom[i];
CString strLine;
strLine.Format("%.3f %.3f %.3f %.3f\n", pAtom->m_pos.x, pAtom->m_pos.y, pAtom->m_pos.z, pAtom->m_fRadius );
strCoord += strLine;
}
CFile fileMSMS;
CFileException ex;
if ( !fileMSMS.Open(coordFilename, CFile::modeWrite|CFile::modeCreate, &ex) )
{
TCHAR szError[1024];
ex.GetErrorMessage(szError, 1024);
CString strMsg;
strMsg.Format( _T("Couldn't open source file: %s"), szError );
OutputTextMsg(strMsg);
return E_FAIL;
}
GetMainActiveView()->SetProgress(20, iProgress );
TCHAR * buff = strCoord.GetBuffer();
fileMSMS.Write(buff, strCoord.GetLength());
strCoord.ReleaseBuffer();
fileMSMS.Close();
GetMainActiveView()->SetProgress(60, iProgress );
// Run MSMS
CString strCommand;
strCommand.Format(_T("%smsms.exe -if \"%s\" -of \"%s\" -no_header -probe_radius %f -density %f") , GetMainApp()->m_strBaseExePath , coordFilename, outputName , m_probeSphere, GetSurfaceQuality(m_surfaceQuality) );
OutputTextMsg(strCommand);
// TODO: directory에 공백이 있을 경우 msms 가 실행되는지 조사.
if ( m_redirector.Open(strCommand) == FALSE )
{
m_redirector.Close();
GetMainActiveView()->EndProgress(iProgress);
OutputTextMsg(_T("Cannot execute msms.exe. Check file"));
return E_FAIL;
}
m_redirector.Close();
GetMainActiveView()->EndProgress(iProgress);
}
long iProgress = GetMainActiveView()->InitProgress(100);
GetMainActiveView()->SetProgress(0, iProgress );
// Gather results
{
CFile fileVert;
CFileException ex;
if ( !fileVert.Open(outputFilenameVertex , CFile::modeRead, &ex ) )
{
TCHAR szError[1024];
ex.GetErrorMessage(szError, 1024);
CString strMsg;
strMsg.Format( _T("Couldn't open source file: %s"), szError );
OutputTextMsg(strMsg);
return E_FAIL;
}
DWORD fileLen = fileVert.GetLength()+1;
TCHAR * pBuff, * pBuffOrig;
pBuff = pBuffOrig = new TCHAR [fileLen];
ZeroMemory(pBuff, fileLen);
fileVert.Read(pBuff, fileLen);
while(1)
{
TCHAR * pFind = _tcschr(pBuff, _T('\n') );
if ( pFind == NULL )
break;
(*pFind) = _T('\0');
TCHAR * pLine = pBuff;
pBuff = pFind+1;
// "%9.3f %9.3f %9.3f %9.3f %9.3f %9.3f %7d %7d %2d"
D3DXVECTOR3 pos;
D3DXVECTOR3 norm;
pLine[9] = _T('\0');
pos.x = _tstof(&pLine[0]); // x
pLine[19] = _T('\0');
pos.y = _tstof(&pLine[10]); // y
pLine[29] = _T('\0');
pos.z = _tstof(&pLine[20]); // z
pLine[39] = _T('\0');
norm.x = _tstof(&pLine[30]); // nx
pLine[49] = _T('\0');
norm.y = _tstof(&pLine[40]); // ny
pLine[59] = _T('\0');
norm.z = _tstof(&pLine[50]); // nz
m_arrayVertex.push_back(pos);
m_arrayNormal.push_back(norm);
//
pLine[67] = _T('\0');
// _tstoi(&pLine[60]); skip
pLine[75] = _T('\0');
long indexAtom = _tstoi(&pLine[68])-1;
m_arrayIndexAtom.push_back(indexAtom);
long typeVertex = _tstoi(&pLine[76]);
m_arrayTypeVertex.push_back(typeVertex);
};
fileVert.Close();
SAFE_DELETE_AR(pBuffOrig);
}
GetMainActiveView()->SetProgress(50, iProgress );
//
// face
//
{
CFile fileFace;
CFileException ex;
if ( !fileFace.Open(outputFilenameFace, CFile::modeRead, &ex ) )
{
TCHAR szError[1024];
ex.GetErrorMessage(szError, 1024);
CString strMsg;
strMsg.Format( _T("Couldn't open source file: %s"), szError );
OutputTextMsg(strMsg);
return E_FAIL;
}
DWORD fileLen = fileFace.GetLength()+1;
TCHAR * pBuff, * pBuffOrig;
pBuff = pBuffOrig = new TCHAR [fileLen];
ZeroMemory(pBuff, fileLen);
fileFace.Read(pBuff, fileLen);
while(1)
{
TCHAR * pFind = _tcschr(pBuff, _T('\n') );
if ( pFind == NULL )
break;
(*pFind) = _T('\0');
TCHAR * pLine = pBuff;
pBuff = pFind+1;
// "%6d %6d %6d %2d %6d"
int index[3];
pLine[6] = _T('\0');
index[0] = _tstoi(&pLine[0])-1; // i1 1 based index
pLine[13] = _T('\0');
index[1] = _tstoi(&pLine[7])-1; // i2
pLine[20] = _T('\0');
index[2] = _tstoi(&pLine[14])-1; // i3
m_arrayIndexFace.push_back(index[0]);
m_arrayIndexFace.push_back(index[1]);
m_arrayIndexFace.push_back(index[2]);
pLine[23] = _T('\0');
long typeFace = _tstof(&pLine[21]); // nx
m_arrayTypeFace.push_back(typeFace);
};
fileFace.Close();
SAFE_DELETE_AR(pBuffOrig);
}
GetMainActiveView()->EndProgress(iProgress );
// m_ArrayArrayFaceIndex 를 구함
// 세로가 m_pChain->m_arrayAtom 의 index.
// 가로가 atom 이 가리키는 vertex의 index.
// atom 이 가지는 triangle face 의 index를 저장
{
m_ArrayArrayFaceIndex.clear();
// HETATM 때문에 배열의 index를 m_pChain->m_arrayAtom을 사용한다.
m_ArrayArrayFaceIndex.resize(m_pChain->m_arrayAtom.size());
long iProgress = GetMainActiveView()->InitProgress(100);
GetMainActiveView()->SetProgress(0, iProgress );
long deltaProgress = m_arrayIndexFace.size()/90;
deltaProgress -= deltaProgress%3;
for ( long i = 0 ; i < m_arrayIndexFace.size() ; i+= 3 )
{
if ( deltaProgress && (i % deltaProgress == 0) )
GetMainActiveView()->SetProgress(i*100/m_arrayIndexFace.size() , iProgress);
long index = m_arrayIndexFace[i];
long iAtom = m_arrayIndexAtom[index];
// HETATM 때문에 배열의 index를 m_pChain->m_arrayAtom을 사용한다.
long arrayIndex = m_arrayAtom[iAtom]->m_arrayIndex;
CSTLLONGArray & stlLongArray = m_ArrayArrayFaceIndex[arrayIndex];
if ( stlLongArray.capacity() == 0 )
stlLongArray.reserve(3*10);
// vertexIndex 를 넣어둔다.
//
// CAtom 에 Surface의 vertex 와 연결된 vertex Index list를 넣어둔다.
// vertex Index list = 3* n개
//
stlLongArray.push_back(m_arrayIndexFace[i]);
stlLongArray.push_back(m_arrayIndexFace[i+1]);
stlLongArray.push_back(m_arrayIndexFace[i+2]);
}
GetMainActiveView()->EndProgress(iProgress);
}
return S_OK;
}
BOOL CXTPRegistryManager::GetProfileBinary(LPCTSTR lpszSection, LPCTSTR lpszEntry, BYTE** ppData, UINT* pBytes)
{
ASSERT(lpszSection != NULL);
ASSERT(lpszEntry != NULL);
ASSERT(ppData != NULL);
ASSERT(pBytes != NULL);
if (!ppData || !pBytes)
return FALSE;
*ppData = NULL;
*pBytes = 0;
if (m_strINIFileName.IsEmpty())
{
CHKey hSecKey(GetSectionKey(lpszSection, KEY_READ));
if (hSecKey == NULL)
return FALSE;
DWORD dwType, dwCount;
m_lResult = ::RegQueryValueEx(hSecKey, (LPTSTR)lpszEntry, NULL, &dwType,
NULL, &dwCount);
if (m_lResult != ERROR_SUCCESS)
return FALSE;
*pBytes = dwCount;
*ppData = new BYTE[*pBytes];
ASSERT(dwType == REG_BINARY);
m_lResult = ::RegQueryValueEx(hSecKey, (LPTSTR)lpszEntry, NULL, &dwType,
*ppData, &dwCount);
if (m_lResult != ERROR_SUCCESS)
{
SAFE_DELETE_AR(*ppData);
return FALSE;
}
ASSERT(dwType == REG_BINARY);
return TRUE;
}
else
{
ASSERT(m_strINIFileName.IsEmpty() == FALSE);
CString str = GetProfileString(lpszSection, lpszEntry, NULL);
if (str.IsEmpty())
return FALSE;
ASSERT(str.GetLength()%2 == 0);
int nLen = str.GetLength();
*pBytes = nLen/2;
*ppData = new BYTE[*pBytes];
int i;
for (i = 0; i < nLen; i += 2)
{
(*ppData)[i/2] = (BYTE)
(((str[i + 1] - 'A') << 4) + (str[i] - 'A'));
}
return TRUE;
}
}
CXTPTabManager::CRowIndexer::~CRowIndexer()
{
SAFE_DELETE_AR(m_pRowItems);
}
