diff --git a/lib/galaxy/config/sample/datatypes_conf.xml.sample b/lib/galaxy/config/sample/datatypes_conf.xml.sample index aef647477ae..76aeeca4428 100644 --- a/lib/galaxy/config/sample/datatypes_conf.xml.sample +++ b/lib/galaxy/config/sample/datatypes_conf.xml.sample @@ -641,8 +641,11 @@ + + + @@ -821,6 +824,7 @@ + diff --git a/lib/galaxy/datatypes/binary.py b/lib/galaxy/datatypes/binary.py index 519001ae6b1..a8d5d73d7b1 100644 --- a/lib/galaxy/datatypes/binary.py +++ b/lib/galaxy/datatypes/binary.py @@ -957,7 +957,7 @@ class Trr(GmxBinary): """ file_ext = "trr" - magic_number = 1993 # magic number reference: https://github.com/gromacs/gromacs/blob/1c6639f0636d2ffc3d665686756d77227c8ae6d1/src/gromacs/fileio/trrio.cpp + magic_number = 1993 # magic number reference: https://github.com/gromacs/gromacs/blob/cec211b2c835ba6e8ea849fb1bf67d7fc19693a4/src/gromacs/fileio/trrio.cpp class Cpt(GmxBinary): @@ -994,6 +994,23 @@ class Xtc(GmxBinary): magic_number = 1995 # reference: https://github.com/gromacs/gromacs/blob/cec211b2c835ba6e8ea849fb1bf67d7fc19693a4/src/gromacs/fileio/xtcio.cpp +class Edr(GmxBinary): + """ + Class describing an edr file from the GROMACS suite + + >>> from galaxy.datatypes.sniff import get_test_fname + >>> fname = get_test_fname('md.edr') + >>> Edr().sniff(fname) + True + >>> fname = get_test_fname('md.trr') + >>> Edr().sniff(fname) + False + """ + + file_ext = "edr" + magic_number = -55555 # reference: https://github.com/gromacs/gromacs/blob/cec211b2c835ba6e8ea849fb1bf67d7fc19693a4/src/gromacs/fileio/enxio.cpp + + class Biom2(H5): """ Class describing a biom2 file (http://biom-format.org/documentation/biom_format.html) diff --git a/lib/galaxy/datatypes/test/md.edr b/lib/galaxy/datatypes/test/md.edr new file mode 100644 index 00000000000..d95e137947a Binary files /dev/null and b/lib/galaxy/datatypes/test/md.edr differ