BOOL CLogFile::WriteLogFile(LPCTSTR log_message)
{
BOOL result = FALSE;
_ASSERT(log_message);
if (log_message) {
LPSTR write_buf;
int len = PrepareBuffer(log_message, _tcslen(log_message) + 1, &write_buf);
if (len <= 0)
return FALSE;
EnterCriticalSection(log_cs);
{
HANDLE hFile = openLogFile();
if (hFile != INVALID_HANDLE_VALUE) {
DWORD bytes;
SetFilePointer(hFile, 0, NULL, FILE_END);
_ASSERT(write_buf);
if (WriteFile(hFile, write_buf, len - 1, &bytes, NULL)) {
last_write_time = GetTickCount();
result = TRUE;
}
CloseHandle(hFile);
}
}
LeaveCriticalSection(log_cs);
VirtualFree(write_buf, 0, MEM_RELEASE);
}
else
return TRUE;
return result;
}
void ReportGeneral(CHAIN **Chain, FILE *Out)
{
register int i;
BUFFER Bf, Tmp;
if( !Chain[0]->NInfo )
return;
PrepareBuffer(Bf,Chain);
Glue(Bf,"REM --------------------------------------------------------------------",Out);
Glue(Bf,"REM",Out);
Glue(Bf,"REM STRIDE: Knowledge-based secondary structure assignment",Out);
Glue(Bf,"REM Please cite: D.Frishman & P.Argos, Proteins XX, XXX-XXX, 1995",Out);
Glue(Bf,"REM",Out);
Glue(Bf,"REM Residue accessible surface area calculation",Out);
Glue(Bf,"REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 ",Out);
Glue(Bf,"REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted",Out);
Glue(Bf,"REM",Out);
sprintf(Tmp,"REM ------------------------ ");
strcat(Tmp,"General information");
strcat(Tmp," -----------------------");
Glue(Bf,Tmp,Out);
Glue(Bf,"REM",Out);
for( i=0; i<Chain[0]->NInfo; i++ ) {
strcpy(Tmp,Chain[0]->Info[i]);
Tmp[66] = '\0';
Replace(Tmp,'\n',' ');
Glue(Bf,Tmp,Out);
}
Glue(Bf,"REM",Out);
}
void ReportTurnTypes(CHAIN **Chain, int NChain, FILE *Out, COMMAND *Cmd)
{
register int Cn, Tn;
BUFFER Bf, Tmp;
TURN *t;
Tn = 0;
for( Cn=0; Cn<NChain; Cn++ )
if( Chain[Cn]->Valid )
Tn += Chain[Cn]->NAssignedTurn;
if( !Tn ) return;
PrepareBuffer(Bf,Chain);
for( Cn=0; Cn<NChain; Cn++ ) {
if( !Chain[Cn]->Valid )
continue;
for( Tn=0; Tn<Chain[Cn]->NAssignedTurn; Tn++ ) {
t = Chain[Cn]->AssignedTurn[Tn];
sprintf(Tmp,"LOC %-11s %3s %4s %c %3s %4s %c",
Translate(t->TurnType),t->Res1,t->PDB_ResNumb1,
SpaceToDash(Chain[Cn]->Id),t->Res2,
t->PDB_ResNumb2,SpaceToDash(Chain[Cn]->Id));
Glue(Bf,Tmp,Out);
}
}
}
void Rasterizer::setNewSize(int s)
{
if (s == m_renderingParams->size())
return;
m_renderingParams->setSize(s);
PrepareBuffer();
}
sound::OggData::OggData(void* Engine, const std::string& filename, bool looped) {
#elif defined(USE_XAUDIO2)
sound::OggData::OggData(IXAudio2** Engine, const std::string& filename, bool looped) {
#else
sound::OggData::OggData(LPDIRECTSOUND8* Engine, const std::string& filename, bool looped) {
#endif
Prepare(filename);
PrepareBuffer(Engine, looped);
}
//数据写入缓冲
bool IOBuffer::WriteData( char *data, int nSize )
{
unsigned char *ioBuf = PrepareBuffer( nSize );
if ( NULL == ioBuf ) return false;
memcpy( ioBuf, data, nSize );
WriteFinished( nSize );
return true;
}
void Statistics::MeanSqr(Image& Source, double outVal[4])
{
PrepareBuffer(Source);
Kernel(reduce_mean_sqr, In(Source), Out(), *m_PartialResultBuffer, Source.Step(), Source.Width(), Source.Height());
m_PartialResultBuffer->Read(true);
ReduceMean(m_PartialResult, Source.NbChannels(), outVal);
}
void String::Erase(unsigned long at,unsigned long count)
{
ASSERT(m_Buffer);
ASSERT(at + count <= m_Length);
CopyMemory(m_Buffer + at,m_Buffer + at + count,(m_Length - at - count + 1) * sizeof(wchar_t));
m_Length -= count;
PrepareBuffer(m_Length + 1,true);
}
void String::Erase(unsigned int at,unsigned int count)
{
ASSERT(m_Buffer);
ASSERT(at + count <= m_Length);
CopyMemory(m_Buffer + at,m_Buffer + at + count,m_Length - at - count + 1);
m_Length -= count;
PrepareBuffer(m_Length + 1,true);
}
uint Statistics::CountNonZero(Image& Source)
{
Check1Channel(Source);
PrepareBuffer(Source);
Kernel(reduce_count_nz, In(Source), Out(), *m_PartialResultBuffer, Source.Step(), Source.Width(), Source.Height());
m_PartialResultBuffer->Read(true);
return (uint) ReduceSum(m_PartialResult);
}
double Statistics::MeanSqr(Image& Source)
{
Check1Channel(Source);
PrepareBuffer(Source);
Kernel(reduce_mean_sqr, In(Source), Out(), *m_PartialResultBuffer, Source.Step(), Source.Width(), Source.Height());
m_PartialResultBuffer->Read(true);
return ReduceMean(m_PartialResult);
}
void GenmeshAnimationPDL::Prepare ()
{
if (prepared) return;
prepared = true;
csRef<iEngine> engine = csQueryRegistry<iEngine> (factory->type->object_reg);
if (!engine)
{
factory->type->Report (CS_REPORTER_SEVERITY_ERROR, "No iEngine!");
return;
}
for (size_t b = 0; b < factory->buffers.GetSize(); b++)
{
if (factory->buffers[b].name == factory->type->colorsID)
PrepareBuffer (engine, factory->buffers[b], colorsBuffer);
else
{
ColorBuffer& buffer = buffers.GetExtend (buffers.GetSize ());
PrepareBuffer (engine, factory->buffers[b], buffer);
}
}
buffers.ShrinkBestFit ();
}
void String::Insert(unsigned long at,const wchar_t* buffer)
{
ASSERT(at <= m_Length);
ASSERT(buffer);
ASSERT(buffer != m_Buffer);
unsigned long length = wcslen(buffer);
PrepareBuffer(m_Length + 1 + length,true);
MoveMemory(m_Buffer + at + length,m_Buffer + at,(m_Length + 1 - at) * sizeof(wchar_t));
CopyMemory(m_Buffer + at,buffer,length * sizeof(wchar_t));
m_Length += length;
}
bool String::SetBuffer(const wchar_t* buffer)
{
ASSERT(buffer);
ASSERT(buffer != m_Buffer);
unsigned long length = wcslen(buffer);
if(!PrepareBuffer(length + 1,false))
return false;
CopyMemory(m_Buffer,buffer,(length + 1) * sizeof(wchar_t));
m_Length = length;
return true;
}
void String::Insert(unsigned int at,const char* buffer,unsigned int length)
{
ASSERT(at <= m_Length);
ASSERT(buffer);
ASSERT(buffer != m_Buffer);
if(length == UINT_MAX)
length = (unsigned int)strlen(buffer);
PrepareBuffer(m_Length + 1 + length,true);
MoveMemory(m_Buffer + at + length,m_Buffer + at,m_Length + 1 - at);
CopyMemory(m_Buffer + at,buffer,length);
m_Length += length;
}
void ReportDetailed(CHAIN **Chain, int NChain, FILE *Out, COMMAND *Cmd)
{
register int i, Cn;
RESIDUE *p;
BUFFER Bf, Tmp, Tmp1;
PrepareBuffer(Bf,Chain);
Glue(Bf,"REM",Out);
sprintf(Tmp,"REM --------------- ");
strcat(Tmp,"Detailed secondary structure assignment");
strcat(Tmp,"-------------");
Glue(Bf,Tmp,Out);
Glue(Bf,"REM",Out);
Glue(Bf,"REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| ",Out);
for( Cn=0; Cn<NChain; Cn++ ) {
if( !Chain[Cn]->Valid )
continue;
for( i=0; i<Chain[Cn]->NRes; i++ ) {
p = Chain[Cn]->Rsd[i];
sprintf(Tmp,"ASG %3s %c %4s %4d %c %11s %7.2f %7.2f %7.1f",
p->ResType,SpaceToDash(Chain[Cn]->Id),p->PDB_ResNumb,i+1,
p->Prop->Asn,Translate(p->Prop->Asn),p->Prop->Phi,
p->Prop->Psi,p->Prop->Solv);
if( Cmd->BrookhavenAsn ) {
Tmp[26] = p->Prop->PdbAsn;
Tmp[25] = ' ';
Tmp[27] = ' ';
}
if( Cmd->DsspAsn ) {
Tmp[28] = p->Prop->DsspAsn;
Tmp[27] = ' ';
Tmp[29] = ' ';
sprintf(Tmp1," %6.1f ",p->Prop->DsspSolv);
strcat(Tmp,Tmp1);
}
Glue(Bf,Tmp,Out);
}
}
}
void ReportShort(CHAIN **Chain, int NChain, FILE *Out, COMMAND *Cmd)
{
register int Cn, i;
BUFFER Bf, Tmp;
char *Asn;
static char *StrTypes = "HGIE";
int Bound[MAX_ASSIGN][2], NStr;
if( !ExistsSecStr(Chain,NChain) )
return;
PrepareBuffer(Bf,Chain);
Glue(Bf,"REM",Out);
Glue(Bf,"REM",Out);
Glue(Bf,"REM",Out);
for( ; *StrTypes!= '\0'; StrTypes++ ) {
for( Cn=0; Cn<NChain; Cn++ ) {
if( !Chain[Cn]->Valid )
continue;
Asn = (char *)ckalloc(Chain[Cn]->NRes*sizeof(char));
ExtractAsn(Chain,Cn,Asn);
NStr = Boundaries(Asn,Chain[Cn]->NRes,(*StrTypes),Bound);
for( i=0; i<NStr; i++ ) {
sprintf(Tmp,"LOC %-10s %3s %4s %c %3s %4s %c",Translate(*StrTypes),
Chain[Cn]->Rsd[Bound[i][0]]->ResType,
Chain[Cn]->Rsd[Bound[i][0]]->PDB_ResNumb,
SpaceToDash(Chain[Cn]->Id),
Chain[Cn]->Rsd[Bound[i][1]]->ResType,
Chain[Cn]->Rsd[Bound[i][1]]->PDB_ResNumb,
SpaceToDash(Chain[Cn]->Id));
Glue(Bf,Tmp,Out);
}
free(Asn);
}
}
}
bool String::SetBuffer(const char* buffer,unsigned int length)
{
ASSERT(buffer);
ASSERT(buffer != m_Buffer);
if(length == UINT_MAX)
length = (unsigned int)strlen(buffer);
if(!PrepareBuffer(length + 1,false))
return false;
CopyMemory(m_Buffer,buffer,length);
m_Buffer[length] = 0;
m_Length = length;
return true;
}
void Statistics::PrepareCoords(const ImageBase& Source)
{
PrepareBuffer(Source);
size_t NbGroups = (size_t) GetNbGroups(Source);
// We are storing X and Y
size_t BufferSize = NbGroups * 2;
if (m_PartialCoordBuffer != nullptr &&
m_PartialCoordBuffer->Size() == BufferSize * sizeof(int) &&
m_PartialCoord.size() == BufferSize)
{
return;
}
m_PartialCoord.assign(BufferSize, 0);
m_PartialCoordBuffer.reset();
m_PartialCoordBuffer = make_shared<Buffer>(*m_CL, m_PartialCoord.data(), BufferSize);
}
void ReportSSBonds(CHAIN **Chain, FILE *Out)
{
register int i;
BUFFER Bf, Tmp;
SSBOND *s;
if( !Chain[0]->NBond ) return;
PrepareBuffer(Bf,Chain);
for( i=0; i<Chain[0]->NBond; i++ ) {
s = Chain[0]->SSbond[i];
sprintf(Tmp,"LOC Disulfide CYS %4s %c CYS %4s %c ",
s->PDB_ResNumb1,SpaceToDash(s->ChainId1),
s->PDB_ResNumb2,SpaceToDash(s->ChainId2));
if( s->AsnSource == Pdb )
strcat(Tmp," PDB");
else
strcat(Tmp,"STRIDE\n");
Glue(Bf,Tmp,Out);
}
}
void Rasterizer::Prepare() {
// Sort
for (GalaxyInstance* gi : m_galaxies)
gi->setPosition(gi->position() - m_renderingParams->camera().camera());
qSort(m_galaxies.begin(), m_galaxies.end(), galaxySort);
for (GalaxyInstance* gi : m_galaxies) {
// qDebug() << gi->position().length();
gi->setPosition(gi->position() + m_renderingParams->camera().camera());
}
// Done sorting
for (GalaxyInstance* gi : m_galaxies) {
gi->GetGalaxy()->galaxyParams().setNoise(m_noise);
gi->GetGalaxy()->SetupComponents(m_renderingParams);
}
PrepareBuffer();
PrepareRenderList();
m_renderingParams->camera().setupViewmatrix();
}
BOOL COutput::Open(int nChannels, int nSamplingRate, int nBitsPerSample)
{
MMRESULT mmr;
int i, nCount = 0;
CAutoLock lock(&m_csecDevice);
if (!waveOutGetNumDevs())
goto fail;
if (nChannels == m_pcm.wf.nChannels &&
(int)m_pcm.wf.nSamplesPerSec == nSamplingRate &&
m_pcm.wBitsPerSample == nBitsPerSample)
return TRUE;
CloseAll();
m_cbBuf = BUFLEN_BASE;
if (nSamplingRate > 11025)
m_cbBuf *= 2;
if (nSamplingRate > 22050)
m_cbBuf *= 2;
if (nChannels > 1)
m_cbBuf *= 2;
if (nBitsPerSample > 8)
m_cbBuf *= 2;
m_pcm.wf.wFormatTag = WAVE_FORMAT_PCM;
m_pcm.wf.nChannels = nChannels;
m_pcm.wf.nSamplesPerSec = nSamplingRate;
m_pcm.wf.nAvgBytesPerSec = nBitsPerSample * nSamplingRate * nChannels / 8;
m_pcm.wf.nBlockAlign = nBitsPerSample * nChannels / 8;
m_pcm.wBitsPerSample = nBitsPerSample;
// デバイスがオープンできるまで再試行する
for (i = 0; i < 10; i++) {
if (m_fDoubleBuf)
mmr = waveOutOpen(&m_hwo, WAVE_MAPPER, (LPWAVEFORMATEX)&m_pcm, (DWORD)WaveOutCallback2, 0, CALLBACK_FUNCTION);
else
mmr = waveOutOpen(&m_hwo, WAVE_MAPPER, (LPWAVEFORMATEX)&m_pcm, (DWORD)WaveOutCallback, 0, CALLBACK_FUNCTION);
if (mmr == MMSYSERR_NOERROR)
break;
else if (mmr != MMSYSERR_ALLOCATED)
goto fail;
Sleep(100);
}
m_fPaused = FALSE;
m_dwWritten = 0;
if (!PrepareBuffer())
goto fail;
if (m_fDoubleBuf && !PrepareSubBuffer())
goto fail;
m_nLPeek = 0;
m_nRPeek = 0;
if (m_fFade) {
m_nFadeCurrent = FADE_BASE << FADE_BITS;
m_nFadeSamples = m_pcm.wf.nSamplesPerSec * FADE_TIME / 1000;
m_nFadeRate = (int)((((double)1 - FADE_BASE) / m_nFadeSamples) * (1 << FADE_BITS));
m_nFadeRate += 1;
}
return TRUE;
fail:
CloseAll();
return FALSE;
}
void Window::Create(){
if(true){
WNDCLASSEX wcex;
/* register window class */
wcex.cbSize = sizeof(WNDCLASSEX);
wcex.style = CS_OWNDC;
wcex.lpfnWndProc = WindowProc;
wcex.cbClsExtra = 0;
wcex.cbWndExtra = 0;
wcex.hInstance = GlobalInstanceHandle;
wcex.hIcon = LoadIcon(NULL, IDI_APPLICATION);
wcex.hCursor = LoadCursor(NULL, IDC_ARROW);
wcex.hbrBackground = (HBRUSH)GetStockObject(BLACK_BRUSH);
wcex.lpszMenuName = NULL;
wcex.lpszClassName = "Cell_Engine_Window";
wcex.hIconSm = LoadIcon(NULL, IDI_APPLICATION);;
if (!RegisterClassEx(&wcex)){
//exit(0);
}
}
/* create main window */
ConsoleEcho("Window Création");
WindowHandler= CreateWindowEx(0,
"Cell_Engine_Window",
Title,
WS_TILEDWINDOW,
CW_USEDEFAULT,
CW_USEDEFAULT,
width,
height,
NULL,
NULL,
GlobalInstanceHandle,
NULL);
PIXELFORMATDESCRIPTOR pfd;
int iFormat;
/* get the device context (DC) */
DeviceContext = GetDC(WindowHandler);
/* set the pixel format for the DC */
ZeroMemory(&pfd, sizeof(pfd));
pfd.nSize = sizeof(pfd);
pfd.nVersion = 1;
pfd.dwFlags = PFD_DRAW_TO_WINDOW |
PFD_SUPPORT_OPENGL | PFD_DOUBLEBUFFER;
pfd.iPixelType = PFD_TYPE_RGBA;
pfd.cColorBits = 24;
pfd.cDepthBits = 16;
pfd.iLayerType = PFD_MAIN_PLANE;
iFormat = ChoosePixelFormat(DeviceContext, &pfd);
SetPixelFormat(DeviceContext, iFormat, &pfd);
/* create and enable the render context (RC) */
GLRenderingContext= wglCreateContext(DeviceContext);
SharedRenderContext=wglCreateContext(DeviceContext);
UserSharedRenderContext=wglCreateContext(DeviceContext);
if(SharedRenderContext==NULL){
DWORD errorCode=GetLastError();
LPVOID lpMsgBuf;
FormatMessage(FORMAT_MESSAGE_ALLOCATE_BUFFER | FORMAT_MESSAGE_FROM_SYSTEM | FORMAT_MESSAGE_IGNORE_INSERTS,
NULL, errorCode, MAKELANGID(LANG_NEUTRAL, SUBLANG_DEFAULT),(LPTSTR) &lpMsgBuf, 0, NULL);
MessageBox( NULL, (LPCTSTR)lpMsgBuf, "Error", MB_OK | MB_ICONINFORMATION );
LocalFree(lpMsgBuf);exit(125);
}
bool Error=true;
Error=wglShareLists(GLRenderingContext,SharedRenderContext);
Error=wglShareLists(GLRenderingContext,SharedRenderContext);
if(Error==false){ConsoleEcho("Error dans Share List");exit(122);}
ConsoleEcho("ContextCrétaion");
Error=wglMakeCurrent(DeviceContext,SharedRenderContext);
if(Error==false){
NoticeError();
}
wglMakeCurrent(DeviceContext,GLRenderingContext);
Context_Initied=true;
//wglShareLists(GLobalHGLRC,GLRenderingContext);
glewInit();
ConsoleEcho("Device getting");
GetDeviceMode();
ConsoleEcho("FrameRate Upd");
if(FrameRate==0){DeviceMode.dmDisplayFrequency=(FrameRateList.back());
FrameRate=(FrameRateList.back());
}else{DeviceMode.dmDisplayFrequency=FrameRate;
}
ConsoleEcho("device upd");
UpdateDeviceMode();
RenderWidth=width;
RenderHeight=height;
ShowWindow(WindowHandler, SW_SHOW);
Created=true;
GetRendererInfo();
ConsoleEcho("Buffer");
#if defined(DEBUG_MODE)
DefineGLDebugCallback();
#endif // defined
if(MSAA_Sample>0){
PrepareSamplingBuffer(MSAA_Sample);
}else{
MSAA_Sample=0;
PrepareBuffer();
}
glViewport(0,0,RenderWidth,RenderHeight);
test=5;
//glEnable(GL_DEPTH_TEST);
VSyncState(true);
CreatePipeline();
SetEvent(ThreadStart);
}
void ReportHydrBonds(CHAIN **Chain, int NChain, HBOND **HBond, FILE *Out,
COMMAND *Cmd)
{
register int i, k, Cn;
int Cnt, Res;
BUFFER Bf, Tmp, Tmp1;
HBOND *p;
RESIDUE *r;
PrepareBuffer(Bf,Chain);
Glue(Bf,"REM",Out);
sprintf(Tmp,"REM ------------------ ");
strcat(Tmp,"Mainchain hydrogen bonds");
strcat(Tmp," ------------------------");
Glue(Bf,Tmp,Out);
Glue(Bf,"REM",Out);
Glue(Bf,"REM Definition of Stickle et al., J.Mol.Biol. 226:1143-1159, 1992",Out);
Glue(Bf,"REM A1 is the angle between the planes of donor complex and O..N-C",Out);
Glue(Bf,"REM A2 is the angle between the planes of acceptor complex and N..O=C",Out);
Glue(Bf,"REM",Out);
sprintf(Tmp,"HBT %-6d",Chain[0]->NHydrBondTotal);
Glue(Bf,Tmp,Out);
sprintf(Tmp,"HBI %-6d",Chain[0]->NHydrBondInterchain);
Glue(Bf,Tmp,Out);
for( Cn=0; Cn<NChain; Cn++ )
if( Chain[Cn]->Valid ) {
sprintf(Tmp,"HBC %-6d %s %c %4d",
Chain[Cn]->NHydrBond,Chain[Cn]->File,SpaceToDash(Chain[Cn]->Id),Chain[Cn]->NRes);
Glue(Bf,Tmp,Out);
}
Glue(Bf,"REM",Out);
Glue(Bf,"REM |--Residue 1--| |--Residue 2--| N-O N..O=C O..N-C A1 A2",Out);
for( Cn=0; Cn<NChain; Cn++ ) {
if( !Chain[Cn]->Valid )
continue;
for( i=0; i<Chain[Cn]->NRes; i++ ) {
r = Chain[Cn]->Rsd[i];
Cnt = 0;
for( k=0; k<r->Inv->NBondDnr; k++ ) {
p = HBond[r->Inv->HBondDnr[k]];
if( p->ExistHydrBondRose ) {
Res = p->Acc->A_Res;
sprintf(Tmp,"DNR %4s %c %4s %4d -> ",
r->ResType,SpaceToDash(Chain[Cn]->Id),r->PDB_ResNumb,i);
sprintf(Tmp1,"%4s %c %4s %4d %4.1f %6.1f %6.1f %6.1f %6.1f ",
p->Acc->Chain->Rsd[Res]->ResType,
/* patch replace SpaceToDash(Chain[Cn]->Id), */
SpaceToDash(p->Acc->Chain->Id),
p->Acc->Chain->Rsd[Res]->PDB_ResNumb,Res,p->AccDonDist,p->AccAng,
p->DonAng,p->AccDonAng,p->DonAccAng);
strcat(Tmp,Tmp1);
Glue(Bf,Tmp,Out);
Cnt++;
}
}
Cnt = 0;
for( k=0; k<r->Inv->NBondAcc; k++ ) {
p = HBond[r->Inv->HBondAcc[k]];
if( p->ExistHydrBondRose ) {
Res = p->Dnr->D_Res;
sprintf(Tmp,"ACC %4s %c %4s %4d -> ",
r->ResType,SpaceToDash(Chain[Cn]->Id),r->PDB_ResNumb,i);
sprintf(Tmp1,"%4s %c %4s %4d %4.1f %6.1f %6.1f %6.1f %6.1f ",
p->Dnr->Chain->Rsd[Res]->ResType,
/* patch replace SpaceToDash(Chain[Cn]->Id), */
SpaceToDash(p->Dnr->Chain->Id),
p->Dnr->Chain->Rsd[Res]->PDB_ResNumb,Res,p->AccDonDist,
p->AccAng,p->DonAng,p->AccDonAng,p->DonAccAng);
strcat(Tmp,Tmp1);
Glue(Bf,Tmp,Out);
Cnt++;
}
}
}
}
}
void ReportSummary(CHAIN **Chain, int NChain, FILE *Out, COMMAND *Cmd)
{
int Cn, Width, CurrWidth, NBlocks, Tail, i, j, From, To;
BUFFER Bf, Tmp, Tmp1;
PrepareBuffer(Bf,Chain);
sprintf(Tmp,"REM -------------------- ");
strcat(Tmp,"Secondary structure summary");
strcat(Tmp," -------------------");
Glue(Bf,Tmp,Out);
for( Cn=0; Cn<NChain; Cn++ ) {
if( !Chain[Cn]->Valid )
continue;
Width = 50;
Glue(Bf,"REM",Out);
strncpy(Tmp1,Chain[Cn]->File,40);
Tmp1[40] = '\0';
sprintf(Tmp,"CHN %s %c",Tmp1,SpaceToDash(Chain[Cn]->Id));
Glue(Bf,Tmp,Out);
NBlocks = Chain[Cn]->NRes/Width;
Tail = Chain[Cn]->NRes % Width;
if( Tail ) NBlocks++;
for( i=0; i<NBlocks; i++ ) {
Glue(Bf,"REM",Out);
From = i*Width;
if( i == NBlocks-1 && Tail )
CurrWidth = Tail;
else
CurrWidth = Width;
To = From+CurrWidth;
sprintf(Tmp,"REM ");
for( j=0; j<CurrWidth; j++ )
if( j && (j+1)%10 == 0 )
strcat(Tmp,".");
else
strcat(Tmp," ");
Glue(Bf,Tmp,Out);
sprintf(Tmp,"SEQ %-4d ",From+1);
for( j=From; j<From+Width; j++ ) {
if( j < To )
sprintf(Tmp1,"%c",ThreeToOne(Chain[Cn]->Rsd[j]->ResType));
else
sprintf(Tmp1," ");
strcat(Tmp,Tmp1);
}
sprintf(Tmp1," %4d",To);
strcat(Tmp,Tmp1);
Glue(Bf,Tmp,Out);
sprintf(Tmp,"STR ");
for( j=From; j<To; j++ ) {
if( Chain[Cn]->Rsd[j]->Prop->Asn == 'C' )
sprintf(Tmp1," ");
else
sprintf(Tmp1,"%c",Chain[Cn]->Rsd[j]->Prop->Asn);
strcat(Tmp,Tmp1);
}
strcat(Tmp," ");
Glue(Bf,Tmp,Out);
}
}
}
