From 77ca9b614b9ca4c6c59284fc06fa588be51aa789 Mon Sep 17 00:00:00 2001
From: Alexander Hampel <ahampel@flatironinstitute.org>
Date: Thu, 23 Mar 2023 17:40:13 -0400
Subject: [PATCH] fix: read_input_from_hdf error check was not working

---
 python/triqs_dft_tools/sumk_dft_tools.py | 53 ++++++++++++++----------
 1 file changed, 30 insertions(+), 23 deletions(-)

diff --git a/python/triqs_dft_tools/sumk_dft_tools.py b/python/triqs_dft_tools/sumk_dft_tools.py
index 13eb053c..ffc93993 100644
--- a/python/triqs_dft_tools/sumk_dft_tools.py
+++ b/python/triqs_dft_tools/sumk_dft_tools.py
@@ -341,10 +341,11 @@ class SumkDFTTools(SumkDFT):
 
         things_to_read = ['n_parproj', 'proj_mat_all',
                           'rot_mat_all', 'rot_mat_all_time_inv']
-        value_read = self.read_input_from_hdf(
+        subgroup_present, values_not_read = self.read_input_from_hdf(
             subgrp=self.parproj_data, things_to_read=things_to_read)
-        if not value_read:
-            return value_read
+        if len(values_not_read) > 0 and mpi.is_master_node:
+            raise ValueError(
+                'ERROR: One or more necessary SumK input properties have not been found in the given h5 archive:', self.values_not_read)
         if self.symm_op:
             self.symmpar = Symmetry(self.hdf_file, subgroup=self.symmpar_data)
 
@@ -489,15 +490,17 @@ class SumkDFTTools(SumkDFT):
 
         if (pdos):
           things_to_read = ['maxlm', 'bc']
-          value_read = self.read_input_from_hdf(
-            subgrp=self.bc_data, things_to_read=things_to_read)
-          if not value_read:
-            return value_read
+          subgroup_present, values_not_read = self.read_input_from_hdf(
+              subgrp=self.bc_data, things_to_read=things_to_read)
+          if len(values_not_read) > 0 and mpi.is_master_node:
+            raise ValueError(
+                'ERROR: One or more necessary SumK input properties have not been found in the given h5 archive:', self.values_not_read)
           things_to_read = ['n_atoms']
-          value_read = self.read_input_from_hdf(
-            subgrp=self.symmcorr_data, things_to_read=things_to_read)
-          if not value_read:
-            return value_read
+          subgroup_present, values_not_read = self.read_input_from_hdf(
+              subgrp=self.symmcorr_data, things_to_read=things_to_read)
+          if len(values_not_read) > 0 and mpi.is_master_node:
+            raise ValueError(
+                'ERROR: One or more necessary SumK input properties have not been found in the given h5 archive:', self.values_not_read)
 
         if mesh is None or with_Sigma:
             assert isinstance(self.mesh, MeshReFreq), "mesh must be given if self.mesh is a MeshImFreq"
@@ -658,10 +661,11 @@ class SumkDFTTools(SumkDFT):
         #read in the energy contour energies and projectors
         things_to_read = ['n_k','bmat','symlat','n_symm','vkl',
                           'n_orbitals', 'proj_mat', 'hopping']
-        value_read = self.read_input_from_hdf(
+        subgroup_present, values_not_read = self.read_input_from_hdf(
           subgrp=self.fs_data, things_to_read=things_to_read)
-        if not value_read:
-          return value_read
+        if len(values_not_read) > 0 and mpi.is_master_node:
+            raise ValueError(
+                'ERROR: One or more necessary SumK input properties have not been found in the given h5 archive:', self.values_not_read)
 
         if with_Sigma is True or mesh is None:
             assert isinstance(self.mesh, MeshReFreq), "SumkDFT.mesh must be real if with_Sigma is True or mesh is not given"
@@ -827,16 +831,18 @@ class SumkDFTTools(SumkDFT):
 
         things_to_read = ['n_k', 'n_orbitals', 'proj_mat',
                           'hopping', 'n_parproj', 'proj_mat_all']
-        value_read = self.read_input_from_hdf(
+        subgroup_present, values_not_read = self.read_input_from_hdf(
             subgrp=self.bands_data, things_to_read=things_to_read)
-        if not value_read:
-            return value_read
+        if len(values_not_read) > 0 and mpi.is_master_node:
+            raise ValueError(
+                'ERROR: One or more necessary SumK input properties have not been found in the given h5 archive:', self.values_not_read)
         if ishell is not None:
             things_to_read = ['rot_mat_all', 'rot_mat_all_time_inv']
-            value_read = self.read_input_from_hdf(
+            subgroup_present, values_not_read = self.read_input_from_hdf(
                 subgrp=self.parproj_data, things_to_read=things_to_read)
-            if not value_read:
-                return value_read
+            if len(values_not_read) > 0 and mpi.is_master_node:
+                raise ValueError(
+                    'ERROR: One or more necessary SumK input properties have not been found in the given h5 archive:', self.values_not_read)
 
         if mu is None:
             mu = self.chemical_potential
@@ -966,10 +972,11 @@ class SumkDFTTools(SumkDFT):
 
         things_to_read = ['dens_mat_below', 'n_parproj',
                           'proj_mat_all', 'rot_mat_all', 'rot_mat_all_time_inv']
-        value_read = self.read_input_from_hdf(
+        subgroup_present, values_not_read = self.read_input_from_hdf(
             subgrp=self.parproj_data, things_to_read=things_to_read)
-        if not value_read:
-            return value_read
+        if len(values_not_read) > 0 and mpi.is_master_node:
+            raise ValueError(
+                'ERROR: One or more necessary SumK input properties have not been found in the given h5 archive:', self.values_not_read)
         if self.symm_op:
             self.symmpar = Symmetry(self.hdf_file, subgroup=self.symmpar_data)