mirror of https://github.com/QMCPACK/qmcpack.git
126 lines
3.0 KiB
Python
126 lines
3.0 KiB
Python
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import testing
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from testing import value_eq,object_eq,text_eq
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projwfc_in = '''&projwfc
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prefix = 'pwscf'
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outdir = 'pwscf_output'
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/
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'''
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def test_import():
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from pwscf_postprocessors import PPInput,generate_pp_input
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from pwscf_postprocessors import DosInput,generate_dos_input
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from pwscf_postprocessors import BandsInput,generate_bands_input
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from pwscf_postprocessors import ProjwfcInput,generate_projwfc_input
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from pwscf_postprocessors import CpppInput,generate_cppp_input
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from pwscf_postprocessors import PwexportInput,generate_pwexport_input
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#end def test_import
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def test_empty_init():
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from pwscf_postprocessors import PPInput,generate_pp_input
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from pwscf_postprocessors import DosInput,generate_dos_input
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from pwscf_postprocessors import BandsInput,generate_bands_input
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from pwscf_postprocessors import ProjwfcInput,generate_projwfc_input
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from pwscf_postprocessors import CpppInput,generate_cppp_input
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from pwscf_postprocessors import PwexportInput,generate_pwexport_input
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ppi = PPInput()
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ppi = generate_pp_input()
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ppi = DosInput()
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ppi = generate_dos_input()
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ppi = BandsInput()
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ppi = generate_bands_input()
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ppi = ProjwfcInput()
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ppi = generate_projwfc_input()
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ppi = CpppInput()
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ppi = generate_cppp_input()
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ppi = PwexportInput()
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ppi = generate_pwexport_input()
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#end def test_empty_init
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def test_read():
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import os
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from generic import obj
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from pwscf_postprocessors import ProjwfcInput
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tpath = testing.setup_unit_test_output_directory('pwscf_postprocessor_input','test_read')
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infile_path = os.path.join(tpath,'projwfc.in')
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open(infile_path,'w').write(projwfc_in)
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pi = ProjwfcInput(infile_path)
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pi_ref = obj(
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projwfc = obj(
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prefix = 'pwscf',
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outdir = 'pwscf_output',
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),
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)
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assert(object_eq(pi.to_obj(),pi_ref))
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#end def test_read
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def test_write():
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import os
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from generic import obj
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from pwscf_postprocessors import ProjwfcInput
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tpath = testing.setup_unit_test_output_directory('pwscf_postprocessor_input','test_write')
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infile_path = os.path.join(tpath,'projwfc.in')
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open(infile_path,'w').write(projwfc_in)
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write_path = os.path.join(tpath,'projwfc_write.in')
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pi_write = ProjwfcInput(infile_path)
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pi_write.write(write_path)
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pi_read = ProjwfcInput(write_path)
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pi_ref = obj(
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projwfc = obj(
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prefix = 'pwscf',
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outdir = 'pwscf_output',
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),
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)
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assert(object_eq(pi_read.to_obj(),pi_ref))
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#end def test_write
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def test_generate():
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from generic import obj
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from pwscf_postprocessors import generate_projwfc_input
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pi = generate_projwfc_input(
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prefix = 'pwscf',
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outdir = 'pwscf_output',
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)
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pi_ref = obj(
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projwfc = obj(
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prefix = 'pwscf',
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outdir = 'pwscf_output',
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),
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)
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assert(object_eq(pi.to_obj(),pi_ref))
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#end def test_generate
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