diff options
| -rw-r--r-- | sci-chemistry/nmrpipe/ChangeLog | 10 | ||||
| -rw-r--r-- | sci-chemistry/nmrpipe/files/extract.M | 37 | ||||
| -rw-r--r-- | sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09-r1.ebuild (renamed from sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09.ebuild) | 3 |
3 files changed, 50 insertions, 0 deletions
diff --git a/sci-chemistry/nmrpipe/ChangeLog b/sci-chemistry/nmrpipe/ChangeLog index 5ad1beec3..0e6666223 100644 --- a/sci-chemistry/nmrpipe/ChangeLog +++ b/sci-chemistry/nmrpipe/ChangeLog @@ -2,6 +2,16 @@ # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ + 28 Oct 2013; Justin Lecher <jlec@gentoo.org> + -nmrpipe-8.1.2013.218.23.09.ebuild, +nmrpipe-8.1.2013.218.23.09-r1.ebuild, + +files/extract.M: + Add IBS extract.M macro + + 25 Oct 2013; Justin Lecher <jlec@gentoo.org> + -nmrpipe-8.1.2013.218.23.09.ebuild, +nmrpipe-8.1.2013.218.23.09-r1.ebuild, + +files/extract.M: + Add IBS extract.M macro + 12 Aug 2013; Justin Lecher <jlec@gentoo.org> -nmrpipe-7.9.2013.021.23.09-r3.ebuild, +nmrpipe-8.1.2013.218.23.09.ebuild, -files/nmrpipe-7.9.2013.021.23.09-lib.patch, diff --git a/sci-chemistry/nmrpipe/files/extract.M b/sci-chemistry/nmrpipe/files/extract.M new file mode 100644 index 000000000..544d2fee3 --- /dev/null +++ b/sci-chemistry/nmrpipe/files/extract.M @@ -0,0 +1,37 @@ +if (sliceCode == CODE_ARGS) + { + ArrayNum = argVal( "an" ); /* Array size of arrayed parameter */ + SpecNum = argVal( "sn" ); /* Spectrum number to be extracted */ + printf(" Spectrum %3.0f out of %4.0f\n",SpecNum,ArrayNum); + }; + +if (sliceCode == CODE_INIT) + { + (void) setParm( fdata, NDSIZE, integer( specnum/ArrayNum ), CUR_YDIM ); + }; + +if (sliceCode >1) + { + exit( 0 ); + }; + +if (sliceCode < 0) + { + exit( 0 ); + }; + + +float fid[2*size*specnum]; +float Single[4*size]; + +(void) dReadB(inUnit,fid, 2*wordLen*size*specnum ); /* load the whole FID data in the array "fid" */ + +offset = 4*size*(SpecNum-1); + +for( i = 0; i < specnum*size*2; i = i+4*ArrayNum*size) +{ + (void) vvCopyOff( Single, fid, 4*size, 0, offset ); /* load in the buffer array "Single" two complex spectra + (phase=1,phase=2) from the "fid" array starting from offset*/ + (void) dWrite( outUnit,Single,wordLen*4*size); /* write "Single in the output */ + offset += 4*ArrayNum*size; +} diff --git a/sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09.ebuild b/sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09-r1.ebuild index 1a81a38f0..cd253d5d3 100644 --- a/sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09.ebuild +++ b/sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09-r1.ebuild @@ -208,4 +208,7 @@ src_install() { exeinto ${NMRBASE}/nmrbin.linux9 doexe "${T}"/nmrWish + + insinto ${NMRBASE}/nmrtxt + doins "${FILESDIR}"/extract.M } |