diff --git a/corrlib/input/openQCD.py b/corrlib/input/openQCD.py index a3bce6f..1d36e7f 100644 --- a/corrlib/input/openQCD.py +++ b/corrlib/input/openQCD.py @@ -4,6 +4,7 @@ import os import fnmatch from typing import Any, Optional from pathlib import Path +import struct def read_ms1_param(path: Path, project: str, file_in_project: str) -> dict[str, Any]: @@ -304,3 +305,100 @@ def extract_t1(path: Path, project: str, dir_in_project: str, param: dict[str, A t1_dict[param["type"]] = {} t1_dict[param["type"]][pars] = t0 return t1_dict + + +def read_qcd2_par_file(fname: Path) -> dict[str, dict[str, Any]]: + """ + The subroutines written here have names according to the openQCD programs and functions that write out the data. + + Parameters + ---------- + fname: Path + Location of the parameter file. + + Returns + ------- + par_dict: dict + Dictionary holding the parameters specified in the given file. + """ + def _qcd2_write_lat_parms() -> dict[str, Any]: + """ + Unpack the lattice parameters written by write_lat_parms. + """ + lat_pars = {} + t = fp.read(16) + lat_pars["N"] = list(struct.unpack('iiii', t)) # lattice extends + t = fp.read(8) + nk, isw = struct.unpack('ii', t) # number of kappas and isw parameter + lat_pars["nk"] = nk + lat_pars["isw"] = isw + t = fp.read(8) + lat_pars["beta"] = struct.unpack('d', t)[0] # beta + t = fp.read(8) + lat_pars["c0"] = struct.unpack('d', t)[0] + t = fp.read(8) + lat_pars["c1"] = struct.unpack('d', t)[0] + t = fp.read(8) + lat_pars["csw"] = struct.unpack('d', t)[0] # csw factor + kappas = [] + m0s = [] + # read kappas + for ik in range(nk): + t = fp.read(8) + kappas.append(struct.unpack('d', t)[0]) + t = fp.read(8) + m0s.append(struct.unpack('d', t)[0]) + lat_pars["kappas"] = kappas + lat_pars["m0s"] = m0s + return lat_pars + + def _qcd2_write_bc_parms() -> dict[str, Any]: + """ + Unpack the boundary parameters written by write_bc_parms. + """ + bc_pars: dict[str, Any] = {} + t = fp.read(4) + bc_pars["type"] = struct.unpack('i', t)[0] # type of hte boundaries + t = fp.read(104) + bc_parms = struct.unpack('d'*13, t) + bc_pars["cG"] = list(bc_parms[:2]) # boundary gauge field improvement + bc_pars["cF"] = list(bc_parms[2:4]) # boundary fermion field improvement + phi: list[list[float]] = [[], []] + phi[0] = list(bc_parms[4:7]) + phi[1] = list(bc_parms[7:10]) + bc_pars["phi"] = phi + bc_pars["theta"] = list(bc_parms[10:]) + return bc_pars + + with open(fname, "rb") as fp: + lat_par_dict = _qcd2_write_lat_parms() + bc_par_dict = _qcd2_write_bc_parms() + fp.close() + par_dict = {} + par_dict["lat"] = lat_par_dict + par_dict["bc"] = bc_par_dict + return par_dict + + +def load_qcd2_pars(path: Path, project: str, file_in_project: str) -> dict[str, Any]: + """ + Thin wrapper around read_qcd2_par_file, getting the file before reading. + + Parameters + ---------- + path: Path + Path of the corrlib repository. + project: str + UUID of the project of the parameter-file. + file_in_project: str + The loaction of the file in the project directory. + + Returns + ------- + par_dict: dict + The dict with the parameters read from the .par-file. + """ + fname = path / "projects" / project / file_in_project + ds = os.path.join(path, "projects", project) + dl.get(fname, dataset=ds) + return read_qcd2_par_file(fname)