LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-25 22:52:15 +02:00
Code Issues Releases Wiki Activity

Ocaml generator need l_ezfio_name and not l_provider

Browse Source
This commit is contained in:
Thomas Applencourt 2015-03-31 11:14:45 +02:00
parent 0a8d393dbc
commit 2c0480fcd8
3 changed files with 22 additions and 22 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
ocaml/Input.ml
View File

@ -4,7 +4,7 @@ open Core.Std;;
include Input_ao_basis;;
include Input_bi_integrals;;
include Input_bielec_integrals;;
include Input_bitmasks;;
include Input_cisd_sc2_selected;;
include Input_determinants;;

6
scripts/ezfio_interface/ei_handler.py
View File

@ -465,17 +465,17 @@ def create_ocaml_input(dict_ezfio_cfg,module_lower):
from ezfio_generate_ocaml import EZFIO_ocaml
l_provider = []
l_ezfio_name = []
l_type = []
l_doc = []
for k, v in dict_ezfio_cfg.iteritems():
if v['interface'] == "input":
l_provider.append(k)
l_ezfio_name.append(v['ezfio_name'])
l_type.append(v["type"])
l_doc.append(v["doc"])
e_glob = EZFIO_ocaml(l_provider=l_provider,
e_glob = EZFIO_ocaml(l_ezfio_name=l_ezfio_name,
l_type=l_type,
l_doc=l_doc)

36
scripts/ezfio_interface/ezfio_generate_ocaml.py
View File

@ -135,7 +135,7 @@ class EZFIO_ocaml(object):
def create_type(self):
'''
You need to instantiate the EZFIO_ocaml with this keyword argument
l_provider = [provider_name, ...]
l_ezfio_name = [provider_name, ...]
l_type = [Named_tuple(fancy_type, ocaml_type, fortrant_type), ...]
Return the type template
@ -145,7 +145,7 @@ class EZFIO_ocaml(object):
# C h e c k i n g #
# ~#~#~#~#~#~#~#~ #
self.check_if_init(["l_provider", "l_type"],
self.check_if_init(["l_ezfio_name", "l_type"],
sys._getframe().f_code.co_name)
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
@ -156,7 +156,7 @@ class EZFIO_ocaml(object):
"type t = ",
" {"]
for p, t in zip(self.l_provider, self.l_type):
for p, t in zip(self.l_ezfio_name, self.l_type):
if t.fancy:
l_template += [" {0:<30} : {1}.t;".format(p, t.fancy)]
@ -174,7 +174,7 @@ class EZFIO_ocaml(object):
def create_read_global(self):
'''
You need to instantiate the EZFIO_ocaml with this keyword argument
l_provider = [provider_name, ...]
l_ezfio_name = [ezfio_name, ...]
Return the read_global template
'''
@ -182,7 +182,7 @@ class EZFIO_ocaml(object):
# C h e c k i n g #
# ~#~#~#~#~#~#~#~ #
self.check_if_init(["l_provider"],
self.check_if_init(["l_ezfio_name"],
sys._getframe().f_code.co_name)
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
@ -195,7 +195,7 @@ class EZFIO_ocaml(object):
" {"]
l_template += [" {0:<30} = read_{0} ();".format(p)
for p in self.l_provider]
for p in self.l_ezfio_name]
l_template += [" }",
";;"]
@ -208,7 +208,7 @@ class EZFIO_ocaml(object):
def create_write_global(self):
'''
You need to instantiate the EZFIO_ocaml with this keyword argument
l_provider = [provider_name, ...]
l_ezfio_name = [provider_name, ...]
Return the type template
'''
@ -216,7 +216,7 @@ class EZFIO_ocaml(object):
# C h e c k i n g #
# ~#~#~#~#~#~#~#~ #
self.check_if_init(["l_provider"],
self.check_if_init(["l_ezfio_name"],
sys._getframe().f_code.co_name)
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
@ -225,9 +225,9 @@ class EZFIO_ocaml(object):
l_template = ["(* Write all *)",
"let write{ "]
l_template += [" {0};".format(p) for p in self.l_provider]
l_template += [" {0};".format(p) for p in self.l_ezfio_name]
l_template += [" } ="]
l_template += [" write_{0:<30} {0};".format(p) for p in self.l_provider]
l_template += [" write_{0:<30} {0};".format(p) for p in self.l_ezfio_name]
l_template += [";;"]
# ~#~#~#~#~#~ #
@ -238,7 +238,7 @@ class EZFIO_ocaml(object):
def create_to_string(self):
'''
You need to instantiate the EZFIO_ocaml with this keyword argument
l_provider = [provider_name, ...]
l_ezfio_name = [provider_name, ...]
l_type = [Named_tuple(fancy_type, ocaml_type, fortrant_type), ...]
Return the type template
@ -247,7 +247,7 @@ class EZFIO_ocaml(object):
# C h e c k i n g #
# ~#~#~#~#~#~#~#~ #
self.check_if_init(["l_provider", "l_type"],
self.check_if_init(["l_ezfio_name", "l_type"],
sys._getframe().f_code.co_name)
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
@ -258,10 +258,10 @@ class EZFIO_ocaml(object):
'let to_string b =',
' Printf.sprintf "']
l_template += ["{0} = %s".format(p) for p in self.l_provider]
l_template += ["{0} = %s".format(p) for p in self.l_ezfio_name]
l_template += ['"']
for p, t in zip(self.l_provider, self.l_type):
for p, t in zip(self.l_ezfio_name, self.l_type):
if t.fancy:
str_ = t.fancy
@ -280,7 +280,7 @@ class EZFIO_ocaml(object):
def create_to_rst(self):
'''
You need to instantiate the EZFIO_ocaml with this keyword argument
l_provider = [provider_name, ...]
l_ezfio_name = [provider_name, ...]
l_type = [Named_tuple(fancy_type, ocaml_type, fortrant_type), ...]
Return the type template
@ -289,7 +289,7 @@ class EZFIO_ocaml(object):
# C h e c k i n g #
# ~#~#~#~#~#~#~#~ #
self.check_if_init(["l_provider", "l_type", "l_doc"],
self.check_if_init(["l_ezfio_name", "l_type", "l_doc"],
sys._getframe().f_code.co_name)
# ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
@ -300,7 +300,7 @@ class EZFIO_ocaml(object):
'let to_rst b =',
' Printf.sprintf "']
for p, d in zip(self.l_provider, self.l_doc):
for p, d in zip(self.l_ezfio_name, self.l_doc):
l_template += ["{0} ::".format(d),
"",
@ -308,7 +308,7 @@ class EZFIO_ocaml(object):
""]
l_template += ['"']
for p, t in zip(self.l_provider, self.l_type):
for p, t in zip(self.l_ezfio_name, self.l_type):
if t.fancy:
str_ = t.fancy