From 18452f9146b1cac2caf462163d33a5d200292726 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Fri, 22 Feb 2019 16:54:04 +0100
Subject: [PATCH] Allow passing raw arrays.
In addition to numpy arrays, I make it possible to pass plain python arrays.
---
python/plumed.pyx | 13 +++++++++++++
1 file changed, 13 insertions(+)
diff --git a/python/plumed.pyx b/python/plumed.pyx
index 6b3d6ac5a..a9b9fc076 100644
--- a/python/plumed.pyx
+++ b/python/plumed.pyx
@@ -26,6 +26,9 @@
cimport cplumed # This imports information from pxd file - including contents of this file here causes name clashes
+from cpython cimport array
+import array
+
try:
import numpy as np
HAS_NUMPY=True
@@ -63,6 +66,7 @@ cdef class Plumed:
cdef bytes py_bytes = key.encode()
cdef char* ckey = py_bytes
cdef char* cval
+ cdef array.array ar
if val is None :
self.c_plumed.cmd( ckey, NULL )
elif isinstance(val, (int,long) ):
@@ -80,6 +84,15 @@ cdef class Plumed:
self.cmd_ndarray_int(ckey, val)
else :
raise ValueError("ndarrys should be float64 or int64")
+ elif isinstance(val, array.array) :
+ if( (val.typecode=="d" or val.typecode=="f") and val.itemsize==8):
+ ar = val
+ self.c_plumed.cmd( ckey, <void*> ar.data.as_voidptr)
+ elif( (val.typecode=="i" or val.typecode=="I") ) :
+ ar = val
+ self.c_plumed.cmd( ckey, <void*> ar.data.as_voidptr)
+ else :
+ raise ValueError("ndarrays should be double (size=8) or int")
elif isinstance(val, basestring ) :
py_bytes = val.encode()
cval = py_bytes
--
GitLab