def output_mean_nxmap(mean_map_np, cell, path, grid_params):
print("Outputting mean map to: {}".format(path))
rot = clipper_python.Mat33_double(np.eye(3))
trans = clipper_python.Vec3_double(0.0, 0.0, 0.0)
rtop = clipper_python.RTop_orth(
rot,
trans,
)
# Generate the clipper grid
grid = clipper_python.Grid(
grid_params[0],
grid_params[1],
grid_params[2],
)
# resolution = template_xmap.hkl_info.resolution
mean_map_nxmap = clipper_python.NXmap_float(
grid,
rtop,
)
mean_map_nxmap.import_numpy(
clipper_python.Coord_grid(0, 0, 0),
mean_map_np,
)
mapout = clipper_python.CCP4MAPfile()
# print(dir(mapout))
mapout.open_write(str(path))
mapout.set_cell(cell)
mapout.export_nxmap_float(mean_map_nxmap)
mapout.close_write()
def load_xmap_from_ccp4(event_map_path):
xmap = clipper.Xmap_float()
ccp4_file = clipper.CCP4MAPfile()
ccp4_file.open_read(event_map_path)
ccp4_file.import_xmap_float(xmap)
ccp4_file.close_read()
return xmap
def load_ccp4_map(ccp4_path):
print("Opening XMAP")
xmap = clipper_python.Xmap_float()
print("starting map file")
mapout = clipper_python.CCP4MAPfile()
print("opening read")
mapout.open_read(str(ccp4_path))
print("importing xmap")
mapout.import_xmap_float(xmap)
print("closing read")
mapout.close_read()
return xmap
def __init__(self,
path: Path,
) -> None:
super(CCP4MapFile, self).__init__(path)
self.mtz = clipper_python.CCP4MAPfile()