From 02edf61d46c02371fcbade35f1ce6dcb0ebafaba Mon Sep 17 00:00:00 2001
From: Christoph Groth <christoph.groth@cea.fr>
Date: Fri, 29 Mar 2019 13:55:29 +0100
Subject: [PATCH] restore the functioning of args for wraparound-treated
systems
---
doc/source/pre/whatsnew/1.4.rst | 4 ++++
kwant/wraparound.py | 25 ++++++++++++++-----------
2 files changed, 18 insertions(+), 11 deletions(-)
diff --git a/doc/source/pre/whatsnew/1.4.rst b/doc/source/pre/whatsnew/1.4.rst
index 22ed7dc7..c962fb97 100644
--- a/doc/source/pre/whatsnew/1.4.rst
+++ b/doc/source/pre/whatsnew/1.4.rst
@@ -334,6 +334,10 @@ Changes in Kwant 1.4.1
mechanism is used, this restores most of the backwards compatibility with
previous Kwant versions: `Restrictions on value functions when named
parameters are given`_.
+- The ``args`` parameter passing mechanism works again with
+ `~kwant.wraparound`-treated systems. Some restriction continue to appply,
+ notably it is not possible to use ``wraparound`` with value functions that
+ take ``*args`` or ``*kwargs``.
- Kwant no longer requires the existence of a `parameters` attribute for
low-level systems.
- A note about an :ref:`whatsnew13-params-api-change` that ocurred in Kwant
diff --git a/kwant/wraparound.py b/kwant/wraparound.py
index fdfcc9f2..c3c5a38c 100644
--- a/kwant/wraparound.py
+++ b/kwant/wraparound.py
@@ -165,42 +165,45 @@ def wraparound(builder, keep=None, *, coordinate_names='xyz'):
params[name] = inspect.Parameter(
name, inspect.Parameter.POSITIONAL_ONLY)
- # Add all the other parameters, except for the momenta.
+ # Add all the other parameters (except for the momenta). Setup the
+ # 'selections'.
selections = []
for val in vals:
if not callable(val):
selections.append(())
continue
val_params = get_parameters(val)[num_sites:]
+ assert val_params[mnp:] == momenta
+ val_params = val_params[:mnp]
selections.append((*site_params, *val_params))
for p in val_params:
- # Skip parameters that exist in previously added functions,
- # and the momenta, which will be placed at the end.
- if p in params or p in momenta:
+ # Skip parameters that exist in previously added functions.
+ if p in params:
continue
params[p] = inspect.Parameter(
p, inspect.Parameter.POSITIONAL_ONLY)
- # Finally, add the momenta.
- for k in momenta:
- params[k] = inspect.Parameter(
- k, inspect.Parameter.POSITIONAL_ONLY)
-
# Sort values such that ones with the same arguments are bunched.
# Prepare 'val_selection_pairs' that is used in the function 'f' above.
params_keys = list(params.keys())
val_selection_pairs = []
prev_selection = None
argsort = sorted(range(len(selections)), key=selections.__getitem__)
+ momenta_sel = tuple(range(mnp, 0, 1))
for i in argsort:
selection = selections[i]
if selection and selection != prev_selection:
prev_selection = selection = tuple(
- params_keys.index(s) for s in selection)
+ params_keys.index(s) for s in selection) + momenta_sel
else:
selection = ()
val_selection_pairs.append((vals[i], selection))
+ # Finally, add the momenta.
+ for k in momenta:
+ params[k] = inspect.Parameter(
+ k, inspect.Parameter.POSITIONAL_ONLY)
+
f.__signature__ = inspect.Signature(params.values())
return f
@@ -220,7 +223,7 @@ def wraparound(builder, keep=None, *, coordinate_names='xyz'):
sym = TranslationalSymmetry(*periods)
momenta.pop(keep)
momenta = tuple(momenta)
- mnp = -len(sym.periods) # Used by the bound functions above.
+ mnp = -len(momenta) # Used by the bound functions above.
# Store the names of the momentum parameters and the symmetry of the
# old Builder (this will be needed for band structure plotting)
--
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