Public Member Functions | |
| MtzMrgFile () | |
| Constructor: does nothing. | |
| ~MtzMrgFile () | |
| Destructor: close any file that was left open. | |
| bool | open_read (const std::string &filename) |
| ClipperLabelPair | ReadData (clipper::CCP4MTZfile &mtzin, const double &ResoLimit, const MtzIO::column_labels &column_list, clipper::HKL_info &hkl_info_list, clipper::HKL_data< clipper::data32::I_sigI > &IsigData, clipper::MTZdataset &mtzdataset, const bool &verbose, std::string &output) |
| FileRead | MakeHklList (const std::string &mtzname, file_select &file_sel, col_controls &column_selection, MtzIO::column_labels &column_list, const scala::PxdName &InputPxdName, const scala::Scell &cell, std::string &output, const int &verbose, hkl_unmerge_list &hkl_list) |
| std::string | Filename () const |
| bool | Merged () const |
| clipper::Resolution | MtzResolution () const |
| Scell | Cell () const |
| std::string | Spacegroupsymbol () const |
| FileRead MtzIO::MtzMrgFile::MakeHklList | ( | const std::string & | mtzname, | |
| file_select & | file_sel, | |||
| col_controls & | column_selection, | |||
| MtzIO::column_labels & | column_list, | |||
| const scala::PxdName & | InputPxdName, | |||
| const scala::Scell & | cell, | |||
| std::string & | output, | |||
| const int & | verbose, | |||
| hkl_unmerge_list & | hkl_list | |||
| ) |
hkl_symmetry(mtzin.spacegroup()), all_controls(),
| bool MtzIO::MtzMrgFile::open_read | ( | const std::string & | filename | ) |
spacegroupsymbol = FixRhombohedralSymbolMess
(mtzin.spacegroup().symbol_hm(), mcell);
| ClipperLabelPair MtzIO::MtzMrgFile::ReadData | ( | clipper::CCP4MTZfile & | mtzin, | |
| const double & | ResoLimit, | |||
| const MtzIO::column_labels & | column_list, | |||
| clipper::HKL_info & | hkl_info_list, | |||
| clipper::HKL_data< clipper::data32::I_sigI > & | IsigData, | |||
| clipper::MTZdataset & | mtzdataset, | |||
| const bool & | verbose, | |||
| std::string & | output | |||
| ) |
output = "";
clipper::HKL_info(mtzin.spacegroup(), mtzin.cell(),
1.6.3