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#!/usr/bin/env python |
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import comp_md |
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#print comp_md.validate_md_time("/Users/snjoroge/Documents/openmd/development/samples/alkane/butane.md", "/Users/snjoroge/Documents/openmd/development/samples/alkane/butane.md") |
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#print comp_md.file_is_md("/home/sasa/Documents/development/samples/alkane/butane.md") |
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#print comp_md.compare("../samples/argon/500.stat", "../samples/argon/500_v.stat") |
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comp_md.setupDirectories() |
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comp_md.scanForMdFiles() |
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comp_md.runMdFiles() |
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comp_md.cleanUp() |
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#print comp_md.compareEor("../samples/argon/500.eor", "../samples/argon/500_v.eor") |
