Python main 예제들

예제 #1

파일: ccp4i-dimple.py 프로젝트: gitter-badger/dimple

jobdir = os.path.abspath(opt.output_dir)
if not os.path.exists(jobdir):
    os.makedirs(jobdir) # it would be created by dimple, but too late

print "_JOB_DIRECTORY:", jobdir
sys.stdout.flush()

input_files = qtrapi.Files()
input_files.extend([
    qtrapi.File(key="HKLIN", title="Reflection Data", type="hkl:hkl",
                path=os.path.join(jobdir, opt.mtz)),
    qtrapi.File(key="XYZIN", title="Input Model", type="xyz",
                path=os.path.join(jobdir, opt.pdbs[0]))
])

qtrapi_text = qtrapi.Text("")
qtrapi_text.append("")
section_info = qtrapi.Section("Output")
section_info.append(qtrapi_text)

section_input = qtrapi.Section("Input Files")
section_input.append(input_files)

section_output = qtrapi.Section("Output Files")

report = qtrapi.Report(title="Dimple", path=jobdir)
report.extend([section_info, section_input, section_output])
report.flush()

main(sys.argv[1:])

예제 #2

파일: ccp4i-dimple.py 프로젝트: ccp4/dimple

print("_JOB_DIRECTORY: %s" % jobdir)
sys.stdout.flush()

input_files = qtrapi.Files()
input_files.extend([
    qtrapi.File(key="HKLIN",
                title="Reflection Data",
                type="hkl:hkl",
                path=os.path.join(jobdir, opt.mtz)),
    qtrapi.File(key="XYZIN",
                title="Input Model",
                type="xyz",
                path=os.path.join(jobdir, opt.pdbs[0]))
])

qtrapi_text = qtrapi.Text("")
qtrapi_text.append("")
section_info = qtrapi.Section("Output")
section_info.append(qtrapi_text)

section_input = qtrapi.Section("Input Files")
section_input.append(input_files)

section_output = qtrapi.Section("Output Files")

report = qtrapi.Report(title="Dimple", path=jobdir)
report.extend([section_info, section_input, section_output])
report.flush()

main(sys.argv[1:])

예제 #3

import sys
from dimple.main import main

sys.exit(main(sys.argv[1:]))