add automatic saving of plots for t0 and t1

corrlib/initialization.py

@@ -71,6 +71,7 @@ def _create_config(path: Path, tracker: str, cached: bool) -> ConfigParser:
         'db': 'backlogger.db',
         'projects_path': 'projects',
         'archive_path': 'archive',
+        'plot_path': 'plots',
         'toml_imports_path': 'toml_imports',
         'import_scripts_path': 'import_scripts',
     }
@@ -113,6 +114,7 @@ def create(path: Path, tracker: str = 'datalad', cached: bool = True) -> None:
     os.chmod(path / config['paths']['db'], 0o666)
     os.makedirs(path / config['paths']['projects_path'])
     os.makedirs(path / config['paths']['archive_path'])
+    os.makedirs(path / config['paths']['plot_path'])
     os.makedirs(path / config['paths']['toml_imports_path'])
     os.makedirs(path / config['paths']['import_scripts_path'] / 'template.py')
     with open(path / ".gitignore", "w") as fp:

corrlib/input/openQCD.py

@@ -4,8 +4,10 @@ import os
 import fnmatch
 from typing import Any, Optional
 from pathlib import Path
+import matplotlib.pyplot as plt
 from ..pars.openQCD import ms1
 from ..pars.openQCD import qcd2
+from ..tools import get_plot_dir
 
 
 
@@ -164,7 +166,7 @@ def read_rwms(path: Path, project: str, dir_in_project: str, param: dict[str, An
     return rw_dict
 
 
-def extract_t0(path: Path, project: str, dir_in_project: str, param: dict[str, Any], prefix: str, dtr_read: int, xmin: int, spatial_extent: int, fit_range: int = 5, postfix: str="", names: Optional[list[str]]=None, files: Optional[list[str]]=None,
+def extract_t0(path: Path, project: str, dir_in_project: str, ensemble: str, param: dict[str, Any], prefix: str, dtr_read: int, xmin: int, spatial_extent: int, fit_range: int = 5, postfix: str="", names: Optional[list[str]]=None, files: Optional[list[str]]=None,
                r_start: list[int]=[], r_stop: list[int]=[], r_step:int=1) -> dict[str, Any]:
     """
     Extract t0 measurements from the project.
@@ -224,7 +226,7 @@ def extract_t0(path: Path, project: str, dir_in_project: str, param: dict[str, A
     if not r_stop == []:
         kwargs['r_stop'] = r_stop
     kwargs['r_step'] = r_step
-
+    kwargs['plot_fit'] = True
     t0 = input.extract_t0(directory,
                             prefix,
                             dtr_read,
@@ -234,6 +236,10 @@ def extract_t0(path: Path, project: str, dir_in_project: str, param: dict[str, A
                             c=0.3,
                             **kwargs
                             )
+    plot_dir = path / get_plot_dir(path) / ensemble / project
+    if not os.path.exists(plot_dir):
+        os.makedirs(plot_dir)
+    plt.savefig(plot_dir / "t0.pdf")
     par_list= []
     for k in ["integrator", "eps", "ntot", "dnms"]:
         par_list.append(str(param[k]))
@@ -244,7 +250,7 @@ def extract_t0(path: Path, project: str, dir_in_project: str, param: dict[str, A
     return t0_dict
 
 
-def extract_t1(path: Path, project: str, dir_in_project: str, param: dict[str, Any], prefix: str, dtr_read: int, xmin: int, spatial_extent: int, fit_range: int = 5, postfix: str = "", names: Optional[list[str]]=None, files: Optional[list[str]]=None,
+def extract_t1(path: Path, project: str, dir_in_project: str, ensemble: str, param: dict[str, Any], prefix: str, dtr_read: int, xmin: int, spatial_extent: int, fit_range: int = 5, postfix: str = "", names: Optional[list[str]]=None, files: Optional[list[str]]=None,
                r_start: list[int]=[], r_stop: list[int]=[], r_step:int=1) -> dict[str, Any]:
     """
     Extract t1 measurements from the project.
@@ -302,6 +308,7 @@ def extract_t1(path: Path, project: str, dir_in_project: str, param: dict[str, A
     if not r_stop == []:
         kwargs['r_stop'] = r_stop
     kwargs['r_step'] = r_step
+    kwargs['plot_fit'] = True
     t0 = input.extract_t0(directory,
                             prefix,
                             dtr_read,
@@ -311,6 +318,10 @@ def extract_t1(path: Path, project: str, dir_in_project: str, param: dict[str, A
                             c=2./3,
                             **kwargs
                             )
+    plot_dir = path / get_plot_dir(path) / ensemble / project
+    if not os.path.exists(plot_dir):
+        os.makedirs(plot_dir)
+    plt.savefig(plot_dir / "t1.pdf")
     par_list= []
     for k in ["integrator", "eps", "ntot", "dnms"]:
         par_list.append(str(param[k]))

corrlib/meas_io.py

@@ -6,7 +6,7 @@ import json
 from typing import Union
 from pyerrors import Obs, Corr, dump_object, load_object
 from hashlib import sha256
-from .tools import get_db_file, cache_enabled
+from .tools import get_db_file, cache_enabled, get_plot_dir
 from .tracker import get, save, unlock
 import shutil
 from typing import Any
@@ -104,6 +104,8 @@ def write_measurement(path: Path, ensemble: str, measurement: dict[str, dict[str
                     subkeys.append(subkey)
                     pars[subkey] = json.dumps(parameters["rw_fcts"][i])
             elif ms_type in ['t0', 't1']:
+                plot_file = path / get_plot_dir(path) / ensemble / uuid / (ms_type + ".pdf")
+                files_to_save.append(plot_file)
                 if parameter_file is not None:
                     parameters = openQCD.load_ms3_infile(path, uuid, parameter_file)
                 else:

corrlib/toml.py

@@ -229,14 +229,14 @@ def import_toml(path: Path, file: str, copy_file: bool=True) -> None:
                     for rwp in ["integrator", "eps", "ntot", "dnms"]:
                         param[rwp] = "Unknown"
                 param['type'] = 't0'
-                measurement = openQCD.extract_t0(path, uuid, md['path'], param, str(md["prefix"]), int(md["dtr_read"]), int(md["xmin"]), int(md["spatial_extent"]),
+                measurement = openQCD.extract_t0(path, uuid, md['path'], ensemble, param, str(md["prefix"]), int(md["dtr_read"]), int(md["xmin"]), int(md["spatial_extent"]),
                                                  fit_range=int(md.get('fit_range', 5)), postfix=str(md.get('postfix', '')), names=md.get('names', []), files=md.get('files', []),
                                                  r_start=md.get('r_start', []), r_stop=md.get('r_stop', []), r_step=md.get('r_step', 1))
             elif md['measurement'] == 't1':
                 if 'param_file' in md:
                     param = openQCD.load_ms3_infile(path, uuid, md['param_file'])
                 param['type'] = 't1'
-                measurement = openQCD.extract_t1(path, uuid, md['path'], param, str(md["prefix"]), int(md["dtr_read"]), int(md["xmin"]), int(md["spatial_extent"]),
+                measurement = openQCD.extract_t1(path, uuid, md['path'], ensemble, param, str(md["prefix"]), int(md["dtr_read"]), int(md["xmin"]), int(md["spatial_extent"]),
                                                  fit_range=int(md.get('fit_range', 5)), postfix=str(md.get('postfix', '')), names=md.get('names', []), files=md.get('files', []),
                                                  r_start=md.get('r_start', []), r_stop=md.get('r_stop', []), r_step=md.get('r_step', 1))
         write_measurement(path, ensemble, measurement, uuid, project['code'], (md['param_file'] if 'param_file' in md else None))

corrlib/tools.py

@@ -129,6 +129,33 @@ def get_db_file(path: Path) -> Path:
     return db_file
 
 
+def get_plot_dir(path: Path) -> Path:
+    """
+    Get the plots directory associated with the library at the given path.
+
+    Parameters
+    ----------
+    path: str
+        The path of the library.
+
+    Returns
+    -------
+    db_file: str
+        The file holding the database.
+    """
+    path = Path(path)
+    if not os.path.exists(path):
+        raise FileNotFoundError(f"Corrlib path {path} does not exist.")
+    config_path = path / CONFIG_FILENAME
+    config = ConfigParser()
+    if os.path.exists(config_path):
+        config.read(config_path)
+    else:
+        raise FileNotFoundError("Configuration file not found.")
+    plot_dir = Path(config.get('paths', 'plot_dir', fallback='plots'))
+    return plot_dir
+
+
 def cache_enabled(path: Path) -> bool:
     """
     Check, whether the library is cached.

pyproject.toml

@@ -11,6 +11,7 @@ dependencies = [
     'pyerrors>=2.11.1',
     "datalad>=1.1.0",
     'typer>=0.12.5',
+    "matplotlib>=3.10.7",
 ]
 description = "Python correlation library"
 authors = [