VFSEntrySettingsDialog::VFSEntrySettingsDialog(wxWindow* parent, VFSManagerEntry& entry)
: wxDialog(parent, wxID_ANY, "Mount configuration", wxDefaultPosition)
, m_entry(entry)
{
m_tctrl_dev_path = new wxTextCtrl(this, wxID_ANY);
m_btn_select_dev_path = new wxButton(this, wxID_ANY, "...");
m_tctrl_path = new wxTextCtrl(this, wxID_ANY);
m_btn_select_path = new wxButton(this, wxID_ANY, "...");
m_tctrl_mount = new wxTextCtrl(this, wxID_ANY);
m_ch_type = new wxChoice(this, wxID_ANY);
wxBoxSizer& s_type(*new wxBoxSizer(wxHORIZONTAL));
s_type.Add(m_ch_type, 1, wxEXPAND);
wxBoxSizer& s_dev_path(*new wxBoxSizer(wxHORIZONTAL));
s_dev_path.Add(m_tctrl_dev_path, 1, wxEXPAND);
s_dev_path.Add(m_btn_select_dev_path, 0, wxLEFT, 5);
wxBoxSizer& s_path(*new wxBoxSizer(wxHORIZONTAL));
s_path.Add(m_tctrl_path, 1, wxEXPAND);
s_path.Add(m_btn_select_path, 0, wxLEFT, 5);
wxBoxSizer& s_mount(*new wxBoxSizer(wxHORIZONTAL));
s_mount.Add(m_tctrl_mount, 1, wxEXPAND);
wxBoxSizer& s_btns(*new wxBoxSizer(wxHORIZONTAL));
s_btns.Add(new wxButton(this, wxID_OK));
s_btns.AddSpacer(30);
s_btns.Add(new wxButton(this, wxID_CANCEL));
wxBoxSizer& s_main(*new wxBoxSizer(wxVERTICAL));
s_main.Add(&s_type, 1, wxEXPAND | wxALL, 10);
s_main.Add(&s_dev_path, 1, wxEXPAND | wxALL, 10);
s_main.Add(&s_path, 1, wxEXPAND | wxALL, 10);
s_main.Add(&s_mount, 1, wxEXPAND | wxALL, 10);
s_main.AddSpacer(10);
s_main.Add(&s_btns, 0, wxALL | wxCENTER, 10);
SetSizerAndFit(&s_main);
SetSize(350, -1);
for(const auto i : vfsDeviceTypeNames)
{
m_ch_type->Append(i);
}
Connect(m_ch_type->GetId(), wxEVT_COMMAND_CHOICE_SELECTED, wxCommandEventHandler(VFSEntrySettingsDialog::OnSelectType));
Connect(m_btn_select_path->GetId(), wxEVT_COMMAND_BUTTON_CLICKED, wxCommandEventHandler(VFSEntrySettingsDialog::OnSelectPath));
Connect(m_btn_select_dev_path->GetId(), wxEVT_COMMAND_BUTTON_CLICKED, wxCommandEventHandler(VFSEntrySettingsDialog::OnSelectDevPath));
Connect(wxID_OK, wxEVT_COMMAND_BUTTON_CLICKED, wxCommandEventHandler(VFSEntrySettingsDialog::OnOk));
m_tctrl_dev_path->SetValue(m_entry.device_path);
m_tctrl_path->SetValue(m_entry.path);
m_tctrl_mount->SetValue(m_entry.mount);
m_ch_type->SetSelection(m_entry.device);
wxCommandEvent ce;
OnSelectType(ce);
}
bool_t dat_from_rt(restable_t *rt, dat_t *dat)
{
uint32_t i;
int32_t j;
char *path;
if (dat_set_numfiles(dat, rt->number) == FALSE)
return FALSE;
path = NULL;
for(i = 0; i < rt->number; i++)
{
/* Добавление пути */
s_path(&path, rt->entries[i].name, DAT_PATH_DELIM);
s_cut_suffix(&path, path, DAT_PATH_SDELIM);
if (strlen(path) == 0)
s_strcpy(&path, ".");
j = dat_add_path(dat, path);
s_free(&path);
if (j == -1)
return FALSE;
dat->paths[j].numfiles++;
/* Добавление файла */
s_nameext(&(dat->files[i].name), rt->entries[i].name,
DAT_PATH_DELIM);
dat->files[i].path = j;
dat->files[i].compression = rt->entries[i].compression;
dat->files[i].offset = rt->entries[i].offset;
dat->files[i].size = rt->entries[i].size;
if (dat->files[i].compression == 0x40)
dat->files[i].compressed = rt->entries[i].compressed;
else
dat->files[i].compressed = 0;
}
return TRUE;
}
void PathMSDBase::calculate(){
if(neigh_size>0 && getExchangeStep()) error("Neighbor lists for this collective variable are not compatible with replica exchange, sorry for that!");
//log.printf("NOW CALCULATE! \n");
// resize the list to full
if(imgVec.empty()){ // this is the signal that means: recalculate all
imgVec.resize(nframes);
for(unsigned i=0;i<nframes;i++){
imgVec[i].property=indexvec[i];
imgVec[i].index=i;
}
}
// THIS IS THE HEAVY PART (RMSD STUFF)
unsigned stride=comm.Get_size();
unsigned rank=comm.Get_rank();
unsigned nat=pdbv[0].size();
plumed_assert(nat>0);
plumed_assert(nframes>0);
plumed_assert(imgVec.size()>0);
std::vector<double> tmp_distances(imgVec.size(),0.0);
std::vector<Vector> tmp_derivs;
// this array is a merge of all tmp_derivs, so as to allow a single comm.Sum below
std::vector<Vector> tmp_derivs2(imgVec.size()*nat);
// if imgVec.size() is less than nframes, it means that only some msd will be calculated
for(unsigned i=rank;i<imgVec.size();i+=stride){
// store temporary local results
tmp_distances[i]=msdv[imgVec[i].index].calculate(getPositions(),tmp_derivs,true);
plumed_assert(tmp_derivs.size()==nat);
for(unsigned j=0;j<nat;j++) tmp_derivs2[i*nat+j]=tmp_derivs[j];
}
// reduce over all processors
comm.Sum(tmp_distances);
comm.Sum(tmp_derivs2);
// assign imgVec[i].distance and imgVec[i].distder
for(unsigned i=0;i<imgVec.size();i++){
imgVec[i].distance=tmp_distances[i];
imgVec[i].distder.assign(&tmp_derivs2[i*nat],nat+&tmp_derivs2[i*nat]);
}
// END OF THE HEAVY PART
vector<Value*> val_s_path;
if(labels.size()>0){
for(unsigned i=0;i<labels.size();i++){ val_s_path.push_back(getPntrToComponent(labels[i].c_str()));}
}else{
val_s_path.push_back(getPntrToComponent("sss"));
}
Value* val_z_path=getPntrToComponent("zzz");
vector<double> s_path(val_s_path.size());for(unsigned i=0;i<s_path.size();i++)s_path[i]=0.;
double partition=0.;
double tmp;
// clean vector
for(unsigned i=0;i< derivs_z.size();i++){derivs_z[i].zero();}
typedef vector< class ImagePath >::iterator imgiter;
for(imgiter it=imgVec.begin();it!=imgVec.end();++it){
(*it).similarity=exp(-lambda*((*it).distance));
//log<<"DISTANCE "<<(*it).distance<<"\n";
for(unsigned i=0;i<s_path.size();i++){
s_path[i]+=((*it).property[i])*(*it).similarity;
}
partition+=(*it).similarity;
}
for(unsigned i=0;i<s_path.size();i++){ s_path[i]/=partition; val_s_path[i]->set(s_path[i]) ;}
val_z_path->set(-(1./lambda)*std::log(partition));
for(unsigned j=0;j<s_path.size();j++){
// clean up
for(unsigned i=0;i< derivs_s.size();i++){derivs_s[i].zero();}
// do the derivative
for(imgiter it=imgVec.begin();it!=imgVec.end();++it){
double expval=(*it).similarity;
tmp=lambda*expval*(s_path[j]-(*it).property[j])/partition;
for(unsigned i=0;i< derivs_s.size();i++){ derivs_s[i]+=tmp*(*it).distder[i] ;}
if(j==0){for(unsigned i=0;i< derivs_z.size();i++){ derivs_z[i]+=(*it).distder[i]*expval/partition;}}
}
for(unsigned i=0;i< derivs_s.size();i++){
setAtomsDerivatives (val_s_path[j],i,derivs_s[i]);
if(j==0){setAtomsDerivatives (val_z_path,i,derivs_z[i]);}
}
}
for(unsigned i=0;i<val_s_path.size();++i) setBoxDerivativesNoPbc(val_s_path[i]);
setBoxDerivativesNoPbc(val_z_path);
//
// here set next round neighbors
//
if (neigh_size>0){
//if( int(getStep())%int(neigh_stride/getTimeStep())==0 ){
// enforce consistency: the stride is in time steps
if( int(getStep())%int(neigh_stride)==0 ){
// next round do it all:empty the vector
imgVec.clear();
}
// time to analyze the results:
if(imgVec.size()==nframes){
//sort by msd
sort(imgVec.begin(), imgVec.end(), imgOrderByDist());
//resize
imgVec.resize(neigh_size);
}
}
//log.printf("CALCULATION DONE! \n");
}
int main(const carg, const char *varg[])
{
char *s;
int i;
s = NULL;
i = 0;
fprintf(stdout, "s_strcpy(NULL, \"\") == FALSE: ");
if (s_strcpy(NULL, "") == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strncpy(NULL, \"\", 10) == FALSE: ");
if (s_strncpy(NULL, "", 10) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strcat(NULL, \"\") == FALSE: ");
if (s_strcat(NULL, "") == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strncat(NULL, \"\", 10) == FALSE: ");
if (s_strncat(NULL, "", 10) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strcpy(&s, NULL) == FALSE: ");
if (s_strcpy(&s, NULL) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strncpy(&s, NULL, 10) == FALSE: ");
if (s_strncpy(&s, NULL, 10) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strcat(&s, NULL) == FALSE: ");
if (s_strcat(&s, NULL) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strncat(&s, NULL, 10) == FALSE: ");
if (s_strncat(&s, NULL, 10) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strcpy(&s, \"ab\"), strcmp(s, \"ab\") == 0: ");
s_strcpy(&s, "ab");
if (strcmp(s, "ab") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strncpy(&s, \"ab\", 1), strcmp(s, \"a\") == 0: ");
s_strncpy(&s, "ab", 1);
if (strcmp(s, "a") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strcat(&s, \"ab\"), strcmp(s, \"aab\") == 0: ");
s_strcat(&s, "ab");
if (strcmp(s, "aab") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strncat(&s, \"ab\", 1), strcmp(s, \"aaba\") == 0: ");
s_strncat(&s, "ab", 1);
if (strcmp(s, "aaba") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strcpy(&s, \"abcdefghij klmnop\"), s_strcpy(&s, s), strcmp(s, \"abcdefghij klmnop\") == 0: ");
s_strcpy(&s, "abcdefghij klmnop");
s_strcpy(&s, s);
if (strcmp(s, "abcdefghij klmnop") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strncpy(&s, s, 10), strcmp(s, \"abcdefghij\") == 0: ");
s_strncpy(&s, s, 10);
if (strcmp(s, "abcdefghij") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strcat(&s, s), strcmp(s, \"abcdefghijabcdefghij\") == 0: ");
s_strcat(&s, s);
if (strcmp(s, "abcdefghijabcdefghij") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_strncat(&s, s, 10), strcmp(s, \"abcdefghijabcdefghijabcdefghij\") == 0: ");
s_strncat(&s, s, 10);
if (strcmp(s, "abcdefghijabcdefghijabcdefghij") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_path(NULL, \"\", SYS_PATH_DELIM) == FALSE: ");
if (s_path(NULL, "", SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_pathname(NULL, \"\", SYS_PATH_DELIM) == FALSE: ");
if (s_pathname(NULL, "", SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_name(NULL, \"\", SYS_PATH_DELIM) == FALSE: ");
if (s_name(NULL, "", SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_nameext(NULL, \"\", SYS_PATH_DELIM) == FALSE: ");
if (s_nameext(NULL, "", SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_ext(NULL, \"\", SYS_PATH_DELIM) == FALSE: ");
if (s_ext(NULL, "", SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_path(&s, NULL, SYS_PATH_DELIM) == FALSE: ");
if (s_path(&s, NULL, SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_pathname(&s, NULL, SYS_PATH_DELIM) == FALSE: ");
if (s_pathname(&s, NULL, SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_name(&s, NULL, SYS_PATH_DELIM) == FALSE: ");
if (s_name(&s, NULL, SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_nameext(&s, NULL, SYS_PATH_DELIM) == FALSE: ");
if (s_nameext(&s, NULL, SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_ext(&s, NULL, SYS_PATH_DELIM) == FALSE: ");
if (s_ext(&s, NULL, SYS_PATH_DELIM) == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
s_strcpy(&s, "/path/name.ext");
s_path(&s, s, SYS_PATH_DELIM);
fprintf(stdout, "s_strcpy(&s, \"/path/name.ext\"), s_path(&s, s, SYS_PATH_DELIM), strcmp(s, \"/path/\") == 0: ");
if (strcmp(s, "/path/") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
s_strcpy(&s, "/path/name.ext");
s_pathname(&s, s, SYS_PATH_DELIM);
fprintf(stdout, "s_strcpy(&s, \"/path/name.ext\"), s_pathname(&s, s, SYS_PATH_DELIM), strcmp(s, \"/path/name\") == 0: ");
if (strcmp(s, "/path/name") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
s_strcpy(&s, "/path/name.ext");
s_name(&s, s, SYS_PATH_DELIM);
fprintf(stdout, "s_strcpy(&s, \"/path/name.ext\"), s_name(&s, s, SYS_PATH_DELIM), strcmp(s, \"name\") == 0: ");
if (strcmp(s, "name") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
s_strcpy(&s, "/path/name.ext");
s_nameext(&s, s, SYS_PATH_DELIM);
fprintf(stdout, "s_strcpy(&s, \"/path/name.ext\"), s_nameext(&s, s, SYS_PATH_DELIM), strcmp(s, \"name.ext\") == 0: ");
if (strcmp(s, "name.ext") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
s_strcpy(&s, "/path/name.ext");
s_ext(&s, s, SYS_PATH_DELIM);
fprintf(stdout, "s_strcpy(&s, \"/path/name.ext\"), s_ext(&s, s, SYS_PATH_DELIM), strcmp(s, \".ext\") == 0: ");
if (strcmp(s, ".ext") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
i += check_pathnameext("", "", "", "", "", "");
i += check_pathnameext("/", "/", "/", "", "", "");
i += check_pathnameext("path/", "path/", "path/", "", "", "");
i += check_pathnameext("name", "", "name", "name", "name", "");
i += check_pathnameext(".ext", "", "", "", ".ext", ".ext");
i += check_pathnameext("path/name", "path/", "path/name", "name", "name", "");
i += check_pathnameext("path/.ext", "path/", "path/", "", ".ext", ".ext");
i += check_pathnameext("name.ext", "", "name", "name", "name.ext", ".ext");
i += check_pathnameext("path/name.ext", "path/", "path/name", "name", "name.ext", ".ext");
i += check_pathnameext("path.e/", "path.e/", "path.e/", "", "", "");
i += check_pathnameext("path.e/name", "path.e/", "path.e/name", "name", "name", "");
i += check_pathnameext("path.e/.ext", "path.e/", "path.e/", "", ".ext", ".ext");
i += check_pathnameext("path.e/name.ext", "path.e/", "path.e/name", "name", "name.ext", ".ext");
fprintf(stdout, "s_sprintf(NULL, \"%%d abc %%s\", -2147483648, \"def\") == FALSE: ");
if (s_sprintf(NULL, "%d abc %s", -2147483648, "def") == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "s_sprintf(&s, NULL, -2147483648, \"def\") == FALSE: ");
if (s_sprintf(&s, NULL, -2147483648, "def") == FALSE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
s_sprintf(&s, "%d abc %s", -2147483648, "def");
fprintf(stdout, "s_sprintf(&s, \"%%d abc %%s\", -2147483648, \"def\"), strcmp(s, \"-2147483648 abc def\") == 0: ");
if (strcmp(s, "-2147483648 abc def") == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
fprintf(stdout, "is_equal_files(\"%s\", \"%s\") == TRUE: ", varg[0], varg[0]);
if (is_equal_files(varg[0], varg[0]) == TRUE)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed.\n");
i++;
}
s_free(&s);
fprintf(stderr, "Found %d errors.\n", i);
return i;
}
int check_pathnameext(const char *pathnameext,
const char *must_path, const char *must_pathname,
const char *must_name, const char *must_nameext,
const char *must_ext)
{
char *path;
char *pathname;
char *name;
char *nameext;
char *ext;
int i;
path = NULL;
pathname = NULL;
name = NULL;
nameext = NULL;
ext = NULL;
i = 0;
fprintf(stdout, "s_path(&path, \"%s\", SYS_PATH_DELIM), strcmp(path, \"%s\") == 0: ", pathnameext, must_path);
s_path(&path, pathnameext, SYS_PATH_DELIM);
if (strcmp(path, must_path) == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed\n");
i++;
}
fprintf(stdout, "s_pathname(&pathname, \"%s\", SYS_PATH_DELIM), strcmp(pathname, \"%s\") == 0: ", pathnameext, must_pathname);
s_pathname(&pathname, pathnameext, SYS_PATH_DELIM);
if (strcmp(pathname, must_pathname) == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed\n");
i++;
}
fprintf(stdout, "s_name(&name, \"%s\", SYS_PATH_DELIM), strcmp(name, \"%s\") == 0: ", pathnameext, must_name);
s_name(&name, pathnameext, SYS_PATH_DELIM);
if (strcmp(name, must_name) == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed\n");
i++;
}
fprintf(stdout, "s_nameext(&name, \"%s\", SYS_PATH_DELIM), strcmp(nameext, \"%s\") == 0: ", pathnameext, must_nameext);
s_nameext(&nameext, pathnameext, SYS_PATH_DELIM);
if (strcmp(nameext, must_nameext) == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed\n");
i++;
}
fprintf(stdout, "s_ext(&ext, \"%s\", SYS_PATH_DELIM), strcmp(ext, \"%s\") == 0: ", pathnameext, must_ext);
s_ext(&ext, pathnameext, SYS_PATH_DELIM);
if (strcmp(ext, must_ext) == 0)
fprintf(stdout, "OK\n");
else
{
fprintf(stdout, "failed\n");
i++;
}
s_free(&path);
s_free(&pathname);
s_free(&name);
s_free(&nameext);
s_free(&ext);
return i;
}