# This file is part of cfelpyutils. # # cfelpyutils is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # cfelpyutils is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with cfelpyutils. If not, see <http://www.gnu.org/licenses/>. """ Utilities for interoperability with the CrystFEL software package. This module contains reimplementation of Crystfel functions and utilities. """ from __future__ import (absolute_import, division, print_function, unicode_literals) import re from collections import OrderedDict from copy import deepcopy from math import sqrt def _assplode_algebraic(value): items = [item for item in re.split('([+-])', value.strip()) if item != ''] if items and items[0] not in ('+', '-'): items.insert(0, '+') return [''.join((items[x], items[x + 1])) for x in range(0, len(items), 2)] def _dir_conv(direction_x, direction_y, direction_z, value): direction = [direction_x, direction_y, direction_z] items = _assplode_algebraic(value) if items: raise RuntimeError('Invalid direction: {}.'.format(value)) for item in items: axis = item[-1] if axis != 'x' and axis != 'y' and axis != 'z': raise RuntimeError('Invalid Symbol: {} (must be x, y or z).'.format(axis)) if item[:-1] == '+': value = '1.0' elif item[:-1] == '-': value = '-1.0' else: value = item[:-1] if axis == 'x': direction[0] = float(value) elif axis == 'y': direction[1] = float(value) elif axis == 'z': direction[2] = float(value) return direction def _set_dim_structure_entry(key, value, panel): if panel['dim_structure'] is not None: dim = panel['dim_structure'] else: dim = [] dim_index = int(key[3]) if dim_index > len(dim) - 1: for _ in range(len(dim), dim_index + 1): dim.append(None) if value == 'ss' or value == 'fs' or value == '%': dim[dim_index] = value elif value.isdigit(): dim[dim_index] = int(value) else: raise RuntimeError('Invalid dim entry: {}.'.format(value)) def _parse_field_for_panel(key, value, panel): if key == 'min_fs': panel['origin_min_fs'] = int(value) panel['min_fs'] = int(value) elif key == 'max_fs': panel['origin_max_fs'] = int(value) panel['max_fs'] = int(value) elif key == 'min_ss': panel['origin_min_ss'] = int(value) panel['min_ss'] = int(value) elif key == 'max_ss': panel['origin_max_ss'] = int(value) panel['max_ss'] = int(value) elif key == 'corner_x': panel['cnx'] = float(value) elif key == 'corner_y': panel['cny'] = float(value) elif key == 'rail_direction': try: panel['rail_x'], panel['rail_y'], panel['rail_z'] = _dir_conv(panel['rail_x'], panel['rail_y'], panel['rail_z'], value) except RuntimeError as e: raise RuntimeError('Invalid rail direction. ', e) elif key == 'clen_for_centering': panel['clen_for_centering'] = float(value) elif key == 'adu_per_eV': panel['adu_per_eV'] = float(value) elif key == 'adu_per_photon': panel['adu_per_photon'] = float(value) elif key == 'rigid_group': panel['rigid_group'] = value elif key == 'clen': try: panel['clen'] = float(value) panel['clen_from'] = None except ValueError: panel['clen'] = -1 panel['clen_from'] = value elif key == 'data': if not value.startswith('/'): raise RuntimeError('Invalid data location: {}'.format(value)) panel['data'] = value elif key == 'mask': if not value.startswith('/'): raise RuntimeError('Invalid data location: {}'.format(value)) panel['mask'] = value elif key == 'mask_file': panel['mask_file'] = value elif key == 'saturation_map': panel['saturation_map'] = value elif key == 'saturation_map_file': panel['saturation_map_file'] = value elif key == 'coffset': panel['coffset'] = float(value) elif key == 'res': panel['res'] = float(value) elif key == 'max_adu': panel['max_adu'] = value elif key == 'badrow_direction': if value == 'x': panel['badrow'] = 'f' elif value == 'y': panel['badrow'] = 's' elif value == 'f': panel['badrow'] = 'f' elif value == 's': panel['badrow'] = 's' elif value == '-': panel['badrow'] = '-' else: print('badrow_direction must be x, t, f, s, or \'-\'') print('Assuming \'-\'.') panel['badrow'] = '-' elif key == 'no_index': panel['no_index'] = bool(value) elif key == 'fs': try: panel['fsx'], panel['fsy'], panel['fsz'] = _dir_conv(panel['fsx'], panel['fsy'], panel['fsz'], value) except RuntimeError as e: raise RuntimeError('Invalid fast scan direction. ', e) elif key == 'ss': try: panel['ssx'], panel['ssy'], panel['ssz'] = _dir_conv(panel['ssx'], panel['ssy'], panel['ssz'], value) except RuntimeError as e: raise RuntimeError('Invalid slow scan direction. ', e) elif key.startswith('dim'): _set_dim_structure_entry(key, value, panel) else: raise RuntimeError('Unrecognised field: {}'.format(key)) def _parse_top_level(key, value, detector, beam, panel): if key == 'mask_bad': try: detector['mask_bad'] = int(value) except ValueError: detector['mask_bad'] = int(value, 16) elif key == 'mask_good': try: detector['mask_good'] = int(value) except ValueError: detector['mask_good'] = int(value, 16) elif key == 'coffset': panel['coffset'] = float(value) elif key == 'photon_energy': if value.startswith('/'): beam['photon_energy'] = 0.0 beam['photon_energy_from'] = value else: beam['photon_energy'] = float(value) beam['photon_energy_from'] = None elif key == 'photon_energy_scale': beam['photon_energy_scale'] = float(value) elif key == 'peak_info_location': detector['peak_info_location'] = value elif key.startswith('rigid_group') and not key.startswith('rigid_group_collection'): detector['rigid_groups'][key[12:]] = value.split(',') elif key.startswith('rigid_group_collection'): detector['rigid_group_collections'][key[23:]] = value.split(',') else: _parse_field_for_panel(key, value, panel) def _check_bad_fsss(bad_region, is_fsss): if bad_region['is_fsss'] == 99: bad_region['is_fsss'] = is_fsss return if is_fsss != bad_region['is_fsss']: raise RuntimeError("You can't mix x/y and fs/ss in a bad region") return def _parse_field_bad(key, value, bad): if key == 'min_x': bad['min_x'] = float(value) _check_bad_fsss(bad, False) elif key == 'max_x': bad['max_x'] = float(value) _check_bad_fsss(bad, False) elif key == 'min_y': bad['min_y'] = float(value) _check_bad_fsss(bad, False) elif key == 'max_y': bad['max_y'] = float(value) _check_bad_fsss(bad, False) elif key == 'min_fs': bad['min_fs'] = int(value) _check_bad_fsss(bad, True) elif key == 'max_fs': bad['max_fs'] = int(value) _check_bad_fsss(bad, True) elif key == 'min_ss': bad['min_ss'] = int(value) _check_bad_fsss(bad, True) elif key == 'max_ss': bad['max_ss'] = int(value) _check_bad_fsss(bad, True) elif key == 'panel': bad['panel'] = value else: raise RuntimeError('Unrecognised field: {}'.format(key)) return def _check_point(name, panel, fs, ss, min_d, max_d, detector): xs = fs * panel['fsx'] + ss * panel['ssx'] ys = fs * panel['fsy'] + ss * panel['ssy'] rx = (xs + panel['cnx']) / panel['res'] ry = (ys + panel['cny']) / panel['res'] dist = sqrt(rx * rx + ry * ry) if dist > max_d: detector['furthest_out_panel'] = name detector['furthest_out_fs'] = fs detector['furthest_out_ss'] = ss max_d = dist elif dist < min_d: detector['furthest_in_panel'] = name detector['furthest_in_fs'] = fs detector['furthest_in_ss'] = ss min_d = dist return min_d, max_d def _find_min_max_d(detector): min_d = float('inf') max_d = 0.0 for name, panel in detector['panels'].items(): min_d, max_d = _check_point(name, panel, 0, 0, min_d, max_d, detector) min_d, max_d = _check_point(name, panel, panel['w'], 0, min_d, max_d, detector) min_d, max_d = _check_point(name, panel, 0, panel['h'], min_d, max_d, detector) min_d, max_d = _check_point(name, panel, panel['w'], panel['h'], min_d, max_d, detector) def load_crystfel_geometry(filename): """Loads a CrystFEL geometry file into a dictionary. Reimplements the get_detector_geometry_2 function from CrystFEL amost verbatim. Returns a dictionary with the geometry information. Entries in the geometry file appears as keys in the returned dictionary. For a full documentation on the CrystFEL geometry format, see: tfel/manual-crystfel_geometry.html Args: filename (str): filename of the geometry file Returns: detector (dict): dictionary with the geometry loaded from the file """ fh = open(filename, 'r') beam = { 'photon_energy': 0.0, 'photon_energy_from': None, 'photon_energy_scale': 1 } detector = { 'panels': OrderedDict(), 'bad': OrderedDict(), 'mask_good': 0, 'mask_bad': 0, 'rigid_groups': {}, 'rigid_group_collections': {} } default_panel = { 'cnx': None, 'cny': None, 'clen': None, 'coffset': 0.0, 'res': -1.0, 'badrow': '-', 'no_index': False, 'fsx': 1.0, 'fsy': 0.0, 'fsz': 0.0, 'ssx': 0.0, 'ssy': 1.0, 'ssz': 0.0, 'rail_x': None, 'rail_y': None, 'rail_z': None, 'clen_for_centering': None, 'adu_per_eV': None, 'adu_per_photon': None, 'max_adu': float('inf'), 'mask': None, 'mask_file': None, 'satmap': None, 'satmap_file': None, 'data': None, 'dim_structure': None, 'name': '' } default_bad_region = { 'min_x': None, 'max_x': None, 'min_y': None, 'max_y': None, 'min_fs': 0, 'max_fs': 0, 'min_ss': 0, 'max_ss': 0, 'is_fsss': 99, 'name': '' } default_dim = ['ss', 'fs'] fhlines = fh.readlines() for line in fhlines: if line.startswith(';'): continue line_without_comments = line.strip().split(';')[0] line_items = re.split('([ \t])', line_without_comments) line_items = [item for item in line_items if item not in ('', ' ', '\t')] if len(line_items) < 3: continue value = ''.join(line_items[2:]) if line_items[1] != '=': continue path = re.split('(/)', line_items[0]) path = [item for item in path if item not in '/'] if len(path) < 2: _parse_top_level(line_items[0], value, detector, beam, default_panel) continue curr_bad = None curr_panel = None if path[0].startswith('bad'): if path[0] in detector['bad']: curr_bad = detector['bad'][path[0]] else: curr_bad = deepcopy(default_bad_region) detector['bad'][path[0]] = curr_bad else: if path[0] in detector['panels']: curr_panel = detector['panels'][path[0]] else: curr_panel = deepcopy(default_panel) detector['panels'][path[0]] = curr_panel if curr_panel is not None: _parse_field_for_panel(path[1], value, curr_panel) else: _parse_field_bad(path[1], value, curr_bad) if not detector['panels']: raise RuntimeError("No panel descriptions in geometry file.") num_placeholders_in_panels = None for panel in detector['panels'].values(): if panel['dim_structure'] is not None: curr_num_placeholders = panel['dim_structure'].values().count('%') else: curr_num_placeholders = 0 if num_placeholders_in_panels is None: num_placeholders_in_panels = curr_num_placeholders else: if curr_num_placeholders != num_placeholders_in_panels: raise RuntimeError('All panels\' data and mask entries must have the same number of placeholders.') num_placeholders_in_masks = None for panel in detector['panels'].values(): if panel['mask'] is not None: curr_num_placeholders = panel['mask'].count('%') else: curr_num_placeholders = 0 if num_placeholders_in_masks is None: num_placeholders_in_masks = curr_num_placeholders else: if curr_num_placeholders != num_placeholders_in_masks: raise RuntimeError('All panels\' data and mask entries must have the same number of placeholders.') if num_placeholders_in_masks > num_placeholders_in_panels: raise RuntimeError('Number of placeholders in mask cannot be larget than for data.') dim_length = None for panel in detector['panels'].values(): if panel['dim_structure'] is None: panel['dim_structure'] = deepcopy(default_dim) found_ss = False found_fs = False found_placeholder = False for entry in panel['dim_structure']: if entry is None: raise RuntimeError('Not all dim entries are defined for all panels.') elif entry == 'ss': if found_ss is True: raise RuntimeError('Only one slow scan dim coordinate is allowed.') else: found_ss = True elif entry == 'fs': if found_fs is True: raise RuntimeError('Only one fast scan dim coordinate is allowed.') else: found_fs = True elif entry == '%': if found_placeholder is True: raise RuntimeError('Only one placeholder dim coordinate is allowed.') else: found_placeholder = True if dim_length is None: dim_length = len(panel['dim_structure']) elif dim_length != len(panel['dim_structure']): raise RuntimeError('Number of dim coordinates must be the same for all panels.') if dim_length == 1: raise RuntimeError('Number of dim coordinates must be at least two.') for panel in detector['panels'].values(): if panel['origin_min_fs'] < 0: raise RuntimeError('Please specify the minimum fs coordinate for panel {}.'.format(panel['name'])) if panel['origin_max_fs'] < 0: raise RuntimeError('Please specify the maximum fs coordinate for panel {}.'.format(panel['name'])) if panel['origin_min_ss'] < 0: raise RuntimeError('Please specify the minimum ss coordinate for panel {}.'.format(panel['name'])) if panel['origin_max_ss'] < 0: raise RuntimeError('Please specify the maximum ss coordinate for panel {}.'.format(panel['name'])) if panel['cnx'] is None: raise RuntimeError('Please specify the corner X coordinate for panel {}.'.format(panel['name'])) if panel['clen'] is None and panel['clen_from'] is None: raise RuntimeError('Please specify the camera length for panel {}.'.format(panel['name'])) if panel['res'] < 0: raise RuntimeError('Please specify the resolution or panel {}.'.format(panel['name'])) if panel['adu_per_eV'] is None and panel['adu_per_photon'] is None: raise RuntimeError('Please specify either adu_per_eV or adu_per_photon for ' 'panel {}.'.format(panel['name'])) if panel['clen_for_centering'] is None and panel['rail_x'] is not None: raise RuntimeError('You must specify clen_for_centering if you specify the rail direction ' '(panel {})'.format(panel['name'])) if panel['rail_x'] is None: panel['rail_x'] = 0.0 panel['rail_y'] = 0.0 panel['rail_z'] = 1.0 if panel['clen_for_centering'] is None: panel['clen_for_centering'] = 0.0 panel['w'] = panel['origin_max_fs'] - panel['origin_min_fs'] + 1 panel['h'] = panel['origin_max_ss'] - panel['origin_min_ss'] + 1 for bad_region in detector['bad'].values(): if bad_region['is_fsss'] == 99: raise RuntimeError('Please specify the coordinate ranges for bad region {}.'.format(bad_region['name'])) for group in detector['rigid_groups']: for name in detector['rigid_groups'][group]: if name not in detector['panels']: raise RuntimeError('Cannot add panel to rigid_group. Panel not found: {}'.format(name)) for group_collection in detector['rigid_group_collections']: for name in detector['rigid_group_collections'][group_collection]: if name not in detector['rigid_groups']: raise RuntimeError('Cannot add rigid_group to collection. Rigid group not found: {}'.format(name)) for panel in detector['panels'].values(): d = panel['fsx'] * panel['ssy'] - panel['ssx'] * panel['fsy'] if d == 0.0: raise RuntimeError('Panel {} transformation is singluar.') panel['xfs'] = panel['ssy'] / d panel['yfs'] = panel['ssx'] / d panel['xss'] = panel['fsy'] / d panel['yss'] = panel['fsx'] / d _find_min_max_d(detector) fh.close() # The code of this function is synced with the code of the function # 'get_detector_geometry_2' in CrystFEL at commit 41a8fa9819010fe8ddeb66676fee717f5226c7b8 return detector