add first openQCD functionality

corrlib/input/__init__.py

@@ -3,3 +3,5 @@ Import functions for different codes.
 """
 
 from . import sfcf
+from . import openQCD
+from . import implementations

corrlib/input/implementations.py

@@ -0,0 +1,2 @@
+
+codes = ['sfcf', 'openQCD']

corrlib/input/openQCD.py

@@ -0,0 +1,66 @@
+import pyerrors.input.openQCD as input
+import datalad.api as dl
+import os
+import fnmatch
+from typing import Any
+
+
+def read_param(path: str, project: str, file_in_project: str) -> dict[str, Any]:
+    file = path + "/projects/" + project + '/'  + file_in_project
+    dl.get(file, dataset=path + "/projects/" + project)
+    with open(file, 'r') as fp:
+        lines = fp.readlines()
+        fp.close()
+    param = {}
+    param['rw_fcts'] = []
+    param['rand'] = {}
+
+    for line in lines:
+        if line.startswith('#'):
+            continue
+        if line.startswith('\n'):
+            continue
+
+        if line.startswith("nrw"):
+            l = line.strip()
+            num_rw = l.split('#').split()[1]
+
+    return param
+
+# reweighting factors (len nrw)
+
+#   void read_rw_parms(int irw)
+#     On process 0, this program scans stdin for a line starting with the
+#     string "[Reweighting factor <int>]" (after any number of blanks), where
+#     <int> is the integer value passed through the argument. An error occurs
+#     if no such line or more than one is found. The lines
+#
+#       rwfact   <rwfact_t>
+#       im0      <int>
+#       nsrc     <int>
+#       irp      <int>
+#       mu       <double> [<double>]
+#       np       <int> [<int>]
+#       isp      <int> [<int>]
+    
+
+def read_rwms(path: str, project: str, dir_in_project: str, prefix, postfix="ms1", version='2.0', names=None, files=None):
+    
+    directory = path + "/projects/" + project + '/' + dir_in_project
+    if files is None:
+        files = []
+        for root, ds, fs in os.walk(directory):
+            for f in fs:
+                if fnmatch.fnmatch(f, prefix + "*" + postfix + ".dat"):
+                    files.append(f)
+    dl.get([directory + "/" + f for f in files], dataset=path + "/projects/" + project)
+    kwargs = {}
+    if names is not None:
+        kwargs['names'] = names
+    if files is not None:
+        kwargs['files'] = files
+    rwms = input.read_rwms(directory, prefix, version, **kwargs)
+    print(rwms)
+    rw_dict: dict[str, Any] = {}
+    rw_dict[''] = 
+    return rw_dict

corrlib/toml.py

@@ -10,11 +10,12 @@ the import of projects via TOML.
 
 import tomllib as toml
 import shutil
-from .input import sfcf
+from .input import sfcf, openQCD
 from .main import import_project, update_aliases
 from .meas_io import write_measurement
 import datalad.api as dl
 import os
+from .input.implementations import codes as known_codes
 
 
 def check_project_data(d: dict) -> None:
@@ -30,8 +31,12 @@ def check_project_data(d: dict) -> None:
     return
 
 
-def check_measurement_data(measurements: dict) -> None:
-    var_names: list[str] = ["path", "ensemble", "param_file", "version", "prefix", "cfg_seperator", "names"]
+def check_measurement_data(measurements: dict, code: str) -> None:
+    var_names: list[str] = []
+    if code == "sfcf":
+        var_names = ["path", "ensemble", "param_file", "version", "prefix", "cfg_seperator", "names"]
+    elif code == "openQCD":
+        var_names = ["path", "ensemble", "measurement", "prefix", "param_file"]
     for mname, md in measurements.items():
         for var_name in var_names:
             if var_name not in md.keys():
@@ -56,8 +61,10 @@ def import_toml(path: str, file: str, copy_file: bool=True) -> None:
         toml_dict = toml.load(fp)
     check_project_data(toml_dict)
     project: dict = toml_dict['project']
+    if project['code'] not in known_codes:
+        raise ValueError('Code' + project['code'] + 'has no import implementation!')
     measurements: dict = toml_dict['measurements']
-    check_measurement_data(measurements)
+    check_measurement_data(measurements, project['code'])
     aliases = project.get('aliases', None)
     uuid = project.get('uuid', None)
     if uuid is not None:
@@ -70,6 +77,7 @@ def import_toml(path: str, file: str, copy_file: bool=True) -> None:
     for mname, md in measurements.items():
         print("Import measurement: " + mname)
         ensemble = md['ensemble']
+        if project['code'] == 'sfcf':
             param = sfcf.read_param(path, uuid, md['param_file'])
             if 'names' in md.keys():
                 measurement = sfcf.read_data(path, uuid, md['path'], md['prefix'], param,
@@ -77,8 +85,13 @@ def import_toml(path: str, file: str, copy_file: bool=True) -> None:
             else:
                 measurement = sfcf.read_data(path, uuid, md['path'], md['prefix'], param,
                                             version=md['version'], cfg_seperator=md['cfg_seperator'], sep='/')
-        write_measurement(path, ensemble, measurement, uuid, project['code'], md['param_file'])
             print(mname + " imported.")
+        elif project['code'] == 'openQCD':
+            param = openQCD.read_param(path, uuid, md['param_file'])
+            param['type'] = md['measurement']
+            measurement = openQCD.read_rwms(path, uuid, md['path'], md["prefix"], version=md["version"], names=md['names'], files=md['files'])
+        write_measurement(path, ensemble, measurement, uuid, project['code'], md['param_file'])
+
     if not os.path.exists(os.path.join(path, "toml_imports", uuid)):
         os.makedirs(os.path.join(path, "toml_imports", uuid))
     if copy_file: