mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 11:43:47 +01:00
84 lines
2.8 KiB
Cython
84 lines
2.8 KiB
Cython
|
from gf_imtime import GfImTime
|
||
|
|
|
||
|
|
cdef class GfImTime_cython:
|
||
|
|
|
||
|
|
cdef gf_imtime _c
|
||
|
|
|
||
|
|
def __init__(self, MeshImTime mesh, data, TailGf tail):
|
||
|
|
self._c = gf_imtime (mesh._c, array_view[double,THREE](data), tail._c, nothing())
|
||
|
|
|
||
|
|
def __write_hdf5_cython__ (self, gr , char * key) :
|
||
|
|
h5_write (make_h5_group(gr), key, self._c)
|
||
|
|
|
||
|
|
def set_from_inverse_fourier(self,GfImFreq_cython gw) :
|
||
|
|
"""Fills self with the Inverse Fourier transform of gw"""
|
||
|
|
self._c << lazy_inverse_fourier( gw._c)
|
||
|
|
|
||
|
|
def set_from_legendre(self, GfLegendre_cython gl) :
|
||
|
|
"""Fills self with the Legendre transform of gl"""
|
||
|
|
self._c << lazy_legendre_imtime(gl._c)
|
||
|
|
|
||
|
|
def __dealloc__ (self):
|
||
|
|
pass
|
||
|
|
|
||
|
|
#---------------- Reading from h5 ---------------------------------------
|
||
|
|
|
||
|
|
def h5_read_GfImTime(gr, key):
|
||
|
|
try:
|
||
|
|
indicesL = gr[key]['indices']['left']
|
||
|
|
indicesR = gr[key]['indices']['right']
|
||
|
|
pack = [indicesL, indicesR]
|
||
|
|
except:
|
||
|
|
pack = []
|
||
|
|
try:
|
||
|
|
name = gr[key]['name']
|
||
|
|
except:
|
||
|
|
name = key
|
||
|
|
return make_GfImTime(h5_extractor[gf_imtime]()(make_h5_group(gr),key), pack, name)
|
||
|
|
|
||
|
|
from pytriqs.archive.hdf_archive_schemes import register_class
|
||
|
|
register_class (GfImTime, read_fun = h5_read_GfImTime)
|
||
|
|
|
||
|
|
#---------------- Convertions functions ---------------------------------------
|
||
|
|
|
||
|
|
# Python -> C
|
||
|
|
cdef gf_imtime as_gf_imtime (g) except +:
|
||
|
|
return (<GfImTime_cython?>g)._c
|
||
|
|
|
||
|
|
# C -> Python. Do NOT add except +
|
||
|
|
cdef make_GfImTime (gf_imtime x, indices_pack = [], name = "g"):
|
||
|
|
data = x.data().to_python()
|
||
|
|
if indices_pack == []:
|
||
|
|
indices_pack = [range(data.shape[1]), range(data.shape[2])]
|
||
|
|
else :
|
||
|
|
# check that the dimensions are ok
|
||
|
|
assert len(indices_pack)==2
|
||
|
|
assert len(indices_pack[0]) == data.shape[1]
|
||
|
|
assert len(indices_pack[1]) == data.shape[2]
|
||
|
|
return GfImTime(
|
||
|
|
mesh = make_MeshImTime (x.mesh()),
|
||
|
|
data = data,
|
||
|
|
tail = make_TailGf (x.singularity()),
|
||
|
|
indices_pack = indices_pack,
|
||
|
|
name = name)
|
||
|
|
|
||
|
|
# Python -> C for blocks
|
||
|
|
cdef gf_block_imtime as_gf_block_imtime (G) except +:
|
||
|
|
cdef vector[gf_imtime] v_c
|
||
|
|
for n,g in G:
|
||
|
|
v_c.push_back(as_gf_imtime(g))
|
||
|
|
return make_gf_block_imtime (v_c)
|
||
|
|
|
||
|
|
# C -> Python for block
|
||
|
|
cdef make_BlockGfImTime (gf_block_imtime G, block_indices_pack = [], name = "G"):
|
||
|
|
gl = []
|
||
|
|
name_list = G.mesh().domain().names()
|
||
|
|
if block_indices_pack == []:
|
||
|
|
for i,n in enumerate(name_list):
|
||
|
|
sha = G[i].data().to_python().shape[1:3]
|
||
|
|
block_indices_pack.append( [range(sha[0]), range(sha[1])] )
|
||
|
|
for i,n in enumerate(name_list):
|
||
|
|
gl.append( make_GfImTime(G[i], block_indices_pack[i]) )
|
||
|
|
return BlockGf( name_list = name_list, block_list = gl, name = name )
|
||
|
|
|