Skip to content

Commit

Permalink
Match headers with actual output (#3756)
Browse files Browse the repository at this point in the history
For: `verdi data structure list`
  • Loading branch information
CasperWA authored Feb 13, 2020
1 parent a92c1f1 commit 0a45f40
Showing 1 changed file with 4 additions and 3 deletions.
7 changes: 4 additions & 3 deletions aiida/cmdline/commands/cmd_data/cmd_structure.py
Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@
from aiida.cmdline.params import arguments, options, types
from aiida.cmdline.utils import decorators, echo

LIST_PROJECT_HEADERS = ['Id', 'Label', 'Kinds', 'Sites']
LIST_PROJECT_HEADERS = ['Id', 'Label', 'Formula']
EXPORT_FORMATS = ['cif', 'xsf', 'xyz']
VISUALIZATION_FORMATS = ['ase', 'jmol', 'vesta', 'vmd', 'xcrysden']

Expand Down Expand Up @@ -63,7 +63,8 @@ def structure_list(elements, raw, formula_mode, past_days, groups, all_users):

elements_only = False
lst = data_list(
StructureData, LIST_PROJECT_HEADERS, elements, elements_only, formula_mode, past_days, groups, all_users
StructureData, ['Id', 'Label', 'Kinds', 'Sites'], elements, elements_only, formula_mode, past_days, groups,
all_users
)

entry_list = []
Expand Down Expand Up @@ -99,7 +100,7 @@ def structure_list(elements, raw, formula_mode, past_days, groups, all_users):
# referenced by the site
except KeyError:
formula = '<<UNKNOWN>>'
entry_list.append([str(pid), str(formula), label])
entry_list.append([str(pid), label, str(formula)])

counter = 0
struct_list_data = list()
Expand Down

0 comments on commit 0a45f40

Please sign in to comment.