From 5c620226497880e13c7ca8a5e1bfa2ccb5d9e3e2 Mon Sep 17 00:00:00 2001
From: James Graham <j.graham@soton.ac.uk>
Date: Mon, 24 May 2021 19:40:47 +0100
Subject: [PATCH] fix: pass missing parameter for frame reader
---
pycgtool/frame.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/pycgtool/frame.py b/pycgtool/frame.py
index c50fb96..6790528 100644
--- a/pycgtool/frame.py
+++ b/pycgtool/frame.py
@@ -111,7 +111,7 @@ class Frame:
"""
Hold Atom data separated into Residues
"""
- def __init__(self, gro=None, xtc=None, itp=None, frame_start=0, xtc_reader="simpletraj"):
+ def __init__(self, gro=None, xtc=None, itp=None, frame_start=0, xtc_reader=None):
"""
Return Frame instance having read Residues and Atoms from GRO if provided
@@ -132,7 +132,7 @@ class Frame:
if gro is not None:
from .framereader import get_frame_reader
- self._trajreader = get_frame_reader(gro, traj=xtc, frame_start=frame_start)
+ self._trajreader = get_frame_reader(gro, traj=xtc, frame_start=frame_start, name=xtc_reader)
self._trajreader.initialise_frame(self)
--
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