def run(http_server_name=None, html_subdir="asu_gallery"): parser = OptionParser( usage="usage: python jv_asu.py [options] [numbers...]") parser.add_option("-s", "--server", action="store", type="string", help="network name of http server", metavar="NAME") parser.add_option("-p", "--plane_group", action="store_true") options, args = parser.parse_args() if (options.server is not None): http_server_name = options.server if (not os.path.isdir(html_subdir)): os.makedirs(html_subdir) jv_index.write_html(open("%s/index.html" % html_subdir, "w")) guide_to_notation.write_html( open("%s/guide_to_notation.html" % html_subdir, "w")) if (len(args) == 0): if (options.plane_group): args = ["1-17"] else: args = ["1-230"] for arg in args: numbers = [int(n) for n in arg.split('-')] assert len(numbers) in (1, 2) if (len(numbers) == 1): numbers *= 2 for group_type_number in xrange(numbers[0], numbers[1] + 1): if (options.plane_group): print "Plane group number:", group_type_number from cctbx.sgtbx.direct_space_asu import plane_group_reference_table asu = plane_group_reference_table.get_asu(group_type_number) group_type_number *= -1 else: print "Space group number:", group_type_number asu = reference_table.get_asu(group_type_number) for colored_grid_points in [None, []]: asu_as_jvx(group_type_number=group_type_number, asu=asu, colored_grid_points=colored_grid_points, http_server_name=http_server_name, html_subdir=html_subdir)
def run(http_server_name=None, html_subdir="asu_gallery"): parser = OptionParser(usage="usage: python jv_asu.py [options] [numbers...]") parser.add_option( "-s", "--server", action="store", type="string", help="network name of http server", metavar="NAME" ) parser.add_option("-p", "--plane_group", action="store_true") options, args = parser.parse_args() if options.server is not None: http_server_name = options.server if not os.path.isdir(html_subdir): os.makedirs(html_subdir) jv_index.write_html(open("%s/index.html" % html_subdir, "w")) guide_to_notation.write_html(open("%s/guide_to_notation.html" % html_subdir, "w")) if len(args) == 0: if options.plane_group: args = ["1-17"] else: args = ["1-230"] for arg in args: numbers = [int(n) for n in arg.split("-")] assert len(numbers) in (1, 2) if len(numbers) == 1: numbers *= 2 for group_type_number in xrange(numbers[0], numbers[1] + 1): if options.plane_group: print "Plane group number:", group_type_number from cctbx.sgtbx.direct_space_asu import plane_group_reference_table asu = plane_group_reference_table.get_asu(group_type_number) group_type_number *= -1 else: print "Space group number:", group_type_number asu = reference_table.get_asu(group_type_number) for colored_grid_points in [None, []]: asu_as_jvx( group_type_number=group_type_number, asu=asu, colored_grid_points=colored_grid_points, http_server_name=http_server_name, html_subdir=html_subdir, )
for i in (76, 78, 91, 95, 92, 96, 144, 145, 151, 153, 152, 154, 169, 170, 171, 172, 178, 179, 180, 181, 212, 213) ]) if (len(flags.regular_args) > 1): for arg in flags.regular_args[1:]: numbers = [int(n) for n in arg.split('-')] assert len(numbers) in (1, 2) if (len(numbers) == 1): numbers *= 2 for group_type_number in range(numbers[0], numbers[1] + 1): if (not flags.plane_group): asu_original = reference_table.get_asu(group_type_number) assert sgtbx.space_group(asu_original.hall_symbol) \ == sgtbx.space_group_info(number=group_type_number).group() else: from cctbx.sgtbx.direct_space_asu import plane_group_reference_table asu_original = plane_group_reference_table.get_asu( point_group_number=group_type_number) print("Plane group number:", group_type_number) group_type_number *= -1 asu = asu_original if (flags.strip or flags.strip_polygons): asu = asu_original.shape_only() print("Writing asu_gallery files") jv_asu.asu_as_jvx(group_type_number, asu) if (flags.strip_grid): asu = asu_original.shape_only() if (flags.show_asu): asu.show_comprehensive_summary() check_asu(group_type_number=group_type_number, asu=asu, n=gridding, is_stripped_asu=(flags.strip or flags.strip_grid),