check parameters validity

Author: yomichi

src/dcore/anacont/pade.py

@@ -59,4 +59,5 @@ def parameters_from_ini(inifile):
     parser = create_parser(["post.anacont.pade"])
     parser.read(inifile)
     params = parser.as_dict()
+    parse_parameters(params)
     return params["post.anacont.pade"]

src/dcore/anacont/spm.py

@@ -24,7 +24,7 @@
 from scipy.sparse.linalg import svds
 
 from dcore._dispatcher import MeshImFreq, GfImFreq, GfReFreq
-from dcore.program_options import create_parser
+from dcore.program_options import create_parser, parse_parameters
 
 def set_default_values(dictionary, default_values_dict):
     for key, value in default_values_dict.items():
@@ -285,6 +285,7 @@ def parameters_from_ini(inifile):
     parser = create_parser(["post.anacont.spm"])
     parser.read(inifile)
     params = parser.as_dict()
+    parse_parameters(params)
     return params["post.anacont.spm"]
 
 def anacont(sigma_iw_npz, beta, mesh_w, params_spm):

src/dcore/program_options.py

@@ -268,7 +268,33 @@ def parse_parameters(params):
     if 'tool' in params:
         if params['tool']['n_pade_max'] < 0:
             params['tool']['n_pade_max'] = params['system']['n_iw']
-
+            
+    if 'post' in params:
+        if params['post']['omega_min'] >= params['post']['omega_max']:
+            sys.exit(f"ERROR: omega_min={params['post']['omega_min']} must be less than omega_max={params['post']['omega_max']}.")
+        if params['post']['Nomega'] <= 0:
+            sys.exit(f"ERROR: Nomega={params['post']['Nomega']} must be a positive integer.")
+
+    if 'post.anacont.pade' in params:
+        if params['post.anacont.pade']['iomega_max'] < 0:
+            sys.exit(f"ERROR: iomega_max={params['post.anacont.pade']['iomega_max']} must be a positive float.")
+        if params['post.anacont.pade']['n_min'] < 0:
+            sys.exit(f"ERROR: n_min={params['post.anacont.pade']['n_min']} must be a positive integer.")
+        if params['post.anacont.pade']['n_max'] < params['post.anacont.pade']['n_min']:
+            sys.exit(f"ERROR: n_max={params['post.anacont.pade']['n_max']} must be greater than or equals to n_min={params['post.anacont.pade']['n_min']}.")
+
+    if 'post.anacont.spm' in params:
+        if params['post.anacont.spm']['n_matsubara'] <= 0:
+            sys.exit(f"ERROR: n_matsubara={params['post.anacont.spm']['n_matsubara']} must be a positive integer.")
+        if params['post.anacont.spm']['n_tail'] <= 0:
+            sys.exit(f"ERROR: n_tail={params['post.anacont.spm']['n_tail']} must be a positive integer.")
+        if params['post.anacont.spm']['n_sv'] <= 0:
+            sys.exit(f"ERROR: n_sv={params['post.anacont.spm']['n_sv']} must be a positive integer.")
+        if params['post.anacont.spm']['lambda'] < 0:
+            sys.exit(f"ERROR: lambda={params['post.anacont.spm']['lambda']} must be a non-negative float.")
+        if params['post.anacont.spm']['max_iters_opt'] <= 0:
+            sys.exit(f"ERROR: max_iters_opt={params['post.anacont.spm']['max_iters_opt']} must be a positive integer.")
+        
 
 def parse_knode(knode_string):
     """