restruct: give each openQCD prog it's own file

corrlib/input/openQCD.py

@@ -4,7 +4,9 @@ import os
 import fnmatch
 from typing import Any, Optional
 from pathlib import Path
-import struct
+from ..pars.openQCD import ms1
+from ..pars.openQCD import qcd2
+
 
 
 def read_ms1_param(path: Path, project: str, file_in_project: str) -> dict[str, Any]:
@@ -307,79 +309,6 @@ def extract_t1(path: Path, project: str, dir_in_project: str, param: dict[str, A
     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.
@@ -401,4 +330,28 @@ def load_qcd2_pars(path: Path, project: str, file_in_project: str)  -> dict[str,
     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)
+    return qcd2.read_qcd2_par_file(fname)
+
+
+def load_ms1_pars(path: Path, project: str, file_in_project: str)  -> dict[str, Any]:
+    """
+    Thin wrapper around read_qcd2_ms1_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 ms1.read_qcd2_ms1_par_file(fname)

corrlib/pars/openQCD/__init__.py

@@ -0,0 +1,3 @@
+
+from . import ms1 as ms1
+from . import qcd2 as qcd2

corrlib/pars/openQCD/ms1.py

@@ -0,0 +1,81 @@
+import struct
+
+from typing import Any
+from pathlib import Path
+
+
+def read_qcd2_ms1_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]:
+        """
+        NOTE: This is a duplcation from qcd2.
+        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]:
+        """
+        NOTE: This is a duplcation from qcd2.
+        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
+
+

corrlib/pars/openQCD/qcd2.py

@@ -0,0 +1,77 @@
+import struct
+
+from pathlib import Path
+from typing import Any
+
+
+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