#
#     Copyright (C) 1999-2004  Liz Potterton, Peter Briggs
#
#     This code is distributed under the terms and conditions of the
#     CCP4 Program Suite Licence Agreement as a CCP4 Library.
#     A copy of the CCP4 licence can be obtained by writing to the
#     CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
#
#CCP4i_cvs_Id $Id: aimless.def,v 1.2 2012/05/16 09:22:25 ccb Exp $
#CCP4I VERSION CCP4Interface 0.4
#CCP4I SCRIPT DEF aimless
#CCP4I DATE  25/10/97 16:05:30
#CCP4I USER lizp

@ [FileJoin [GetEnvPath CCP4I_TOP] tasks pointless.def]


CUSTOM_POINTLESS	_logical 		0
POINTLESS_OPTIONS	_logical 		1
# true if one file and sorted
HKLIN_SORTED		_logical 		0

CUSTOM_AIMLESS		_logical 		0


CUSTOM_OUTPUT		_logical 		0

MULTI_RUNS		_logical 		0
HTML_LOG                _logical                1

# refine or onlymerge
REFINE			_logical		1

RUN_POINTLESS		_logical		1

INPUT_FILES 		_list_of_text		""
OUTPUT_FILES		_list_of_text		""

HKLIN			_MTZ_file              	""
DIR_HKLIN		_default_dirs          	""
HKLOUT			_MTZ_file		""
DIR_HKLOUT	 	_default_dirs          	""
N_SCALA_HKLOUT          _positiveint            0
SCALA_HKLOUT,0          _MTZ_file               ""
DIR_SCALA_HKLOUT,0      _default_dirs		""

LABOUT_LABEL    	_text                   ""
ANOMALOUS		_logical		0

INSCALE                 _logical       		1
RESTORE_FILE            _scala_file    		""
DIR_RESTORE_FILE        _default_dirs  		TEMPORARY
INITIAL_ANALYSE         _logical       		0

HKLIN_SCALE		_logical		0
HKLIN_FRACTIONCALC	_logical		0
HKLIN_IPR		_logical		0
HKLIN_XDET		_logical		0
HKLIN_ROT		_logical		0

TITLE       		_title_text		""

AIMLESS_USE_HKLREF	_logical		0

EXCLUDE_ANY             _logical                0
EXCLUDE_BATCH           _logical                0
N_EXCLUDE_BATCH         _positiveint            1
EXCLUDE_BATCH_DEFINE,0  _pointless_batch_define     RANGE
EXCLUDE_BATCH_LIST,0    _list_of_int            ""
EXCLUDE_BATCH_FIRST,0   _int                    ""
EXCLUDE_BATCH_LAST,0    _int                    ""
EXCLUDE_BATCH_SERIES,0  _int                    ""
EXCLUDE_BATCH_DEFINE,1  _pointless_batch_define     RANGE
EXCLUDE_BATCH_LIST,1    _list_of_int            ""
EXCLUDE_BATCH_FIRST,1   _int                    ""
EXCLUDE_BATCH_LAST,1    _int                    ""
EXCLUDE_BATCH_SERIES,1  _int                    ""

EXCLUDE_RESOLUTION      _logical        	0
EXCLUDE_RESOLUTION_MIN  _positivereal   	""
EXCLUDE_RESOLUTION_MAX  _positivereal   	""
FILE_RESOLUTION_MIN,0	_positivereal   	""
FILE_RESOLUTION_MAX,0	_positivereal   	""

#EXCLUDE_DATASET         _logical                0
#N_EXCLUDE_DATASETS      _positiveint            1

# INTEGRATED, PROFILE, COMBINE
IS_SET		       	_logical		0
IS_MODE			_scala_is_mode		COMBINE
IS_COMBINE_IMIDSET	_logical		0
IS_COMBINE_IMID		_positivereal		0.0
IS_COMBINE_POWERSET	_logical		0
IS_COMBINE_POWER	_positivereal		3.0

# partials
IS_PARTIALS		_logical		0
IS_PARTIALS_MINFRAC	_positivereal		""
IS_CHECK		_logical		1
IS_TEST			_logical		1
IS_TEST_MIN		_positivereal		0.95
IS_TEST_MAX		_positivereal		1.05
IS_CORRECT		_logical		0
IS_CORRECT_LIMIT	_positivereal		""
IS_GAP			_logical		0

ANOMALOUS_ON		_logical		0
IF_ANOMALOUS_MATCH	_logical		0
ANOMALOUS_MATCH		_scala_anomalous_match	INVERT
ANOMALOUS_MATCH_SYM	_text			""
ANOMALOUS_PHIDIF	_positivereal		""

NRUNS			_positiveint		1
RUN_SET			_logical		0
RUN_DEFS,0		_positiveint		1
RUN_MODE,0		_scala_run_mode   	BATCHRANGE
# run batch range
RUN_IMIN,0		_positiveint		""
RUN_IMAX,0		_positiveint		""
# run resolution range
RUN_RMIN,0		_positivereal		""
RUN_RMAX,0		_positivereal		""

RUN_MENU_0		_menu 			""
RUN_MENU_0_ALIAS	_menu 			""
RUN_MENU		_menu 			""
RUN_MENU_ALIAS		_menu 			""

# false for onlymerge
SHOW_SCALE_MODEL	_logical		1
NSCALES			_positiveint		1
# true to write SCALES command, else leave as default
SCALES_SPEC,0		_logical		1
SCALES_RUN,0		_scala_scales_run 	"all runs"
SCALES_MODE,0		_scala_scales_mode 	DEFAULT
SCALES_BFACTOR,0	_scala_bfactor		"no"
SCALES_BROTATION,0	_scala_brotation 	NO_TIME
SCALES_BFACTOR_TIME,0	_positiveint		""
SCALES_ROTATION,0	_scala_rotation 	SPACING
SCALES_ROTATION_ROT,0	_positiveint   		"5"
SECONDARY_LMAX,0	_positiveint		4
SURFACE_LMAX,0		_positiveint		4
SURFACE_POLE,0		_text			""
SCALES_SPEC,1		_logical		1
SCALES_RUN,1            _scala_scales_run       "all runs"
SCALES_MODE,1           _scala_scales_mode      DEFAULT
SCALES_BFACTOR,1        _scala_bfactor          ON
SCALES_BROTATION,1      _scala_brotation        "BROTATION SPACING"
SCALES_BFACTOR_TIME,1   _positiveint            20
SCALES_ROTATION,1       _scala_rotation         SPACING 
SCALES_ROTATION_ROT,1   _positiveint            "5"
SECONDARY_LMAX,1	_positiveint		4
SURFACE_LMAX,1		_positiveint		4
SURFACE_POLE,1		_text			""
SHOW_BFACTOR,0		_logical		0
SHOW_BFACTOR,1		_logical		0

TIE_ROTATION		_logical		0
TIE_ROTATION_SD		_positivereal		""
TIE_SURFACE		_logical		0
TIE_SURFACE_SD		_positivereal		0.001
TIE_BFACTOR             _logical                0
TIE_BFACTOR_SD          _positivereal           "10.0"
TIE_ZEROB               _logical                0
TIE_ZEROB_SD            _positivereal           "10.0"

REFINE_OPTIONS		_logical		0
CYCLES_FLAG		_logical		0
CYCLES			_positiveint 		10
SELECT			_logical		0
SELECT_IOVSDMIN		_real			3.0
SELECT2			_logical		0
SELECT_EMIN		_real			1.0

REJECT_SCALE		_logical		0
REJECT_SDMAX		_positivereal		6.0
REJECT_SDMAX2		_positivereal		6.0
# COMBINE or SEPARATE to compare across multiple datasets
#  true for COMBINE, false for SEPERATE
REJECT_COMBINE		_logical		1

MERGE_REJECT		_logical		0
MERGE_REJECT_SDMAX	_positivereal		6.0
MERGE_REJECT_SDMAX2	_positivereal		6.0
#  true for COMBINE, false for SEPERATE
MERGE_REJECT_COMBINE	_logical		1
MERGE_REJECT_ALL	_positivereal		8.0

REJECT_EMAX		_logical		0
REJECT_EMAX_EMAX	_positivereal		10.0

OUTPUT			_logical		1
OUTPUT_TYPE		_scala_output		MERGED
OUTPUT_TYPE_KEY		_text			"MERGED"
#OUTPUT_REDUCED		_logical		0
OUTPUT_SCALEPACK_TYPE	_scala_output		NONE
OUTPUT_SCALEPACK_TYPE_KEY  _text		""

SD_CORRECT		_logical		0
SD_REFINE		_logical		1
SD_SAME			_scala_sd_same		"individual"
SD_FIXSDB		_logical		0
SD_DAMP_SET		_logical		0
SD_DAMP			_positivereal		0.05
SD_TIE_SDB		_logical		1
SD_TIE_SDB_TARGET	_real			0.0
SD_TIE_SDB_SD		_positivereal		20.0

NSDS			_positiveint 		0
# run list
SD_RUNS,0		_scala_scales_run 	"all runs"
#  full, partial
SD_APPLY,0		_scala_sd_apply		"all"
SD_APPLY,1		_scala_sd_apply		"all"
SD_FAC,0		_real			""
SD_B,0			_real			""
SD_ADD,0		_real			""

SHOW_TRUNCATE           _logical                1
RUN_TRUNCATE		_logical		1
APPLY_TRUNCATE		_text			WILSON
CONTENTS_MODE 		_text			NRES
CONTENTS_NRES		_positiveint		""
FALLOFF			_logical		1
EXCLUDE_INTENSITIES     _logical                1
RUN_CAD                 _logical                1
# DATASET || USER
COLUMN_ID_TYPE          _scala_truncate_id      DATASET
TRUNCATE_PROG           _scala_truncate_prog    CTRUNCATE 
OUTPUT_I                _logical                1
RUN_PATTERSON           _logical                0

UNMERGED_TOGETHER       _logical                0

# number of datasets in each file
N_FILE_DATASETS,0       _positiveint            0
# true if multiple datasets in each file
MULTIDATASETS,0         _logical		0
MULTIDATASETS,1         _logical		0
MULTIDATASETSOUT,0      _logical		0
MULTIDATASETSOUT,1      _logical		0
DATASETS_IN             _list                   ""
DATASETS_OUT            _list                   ""
LABELS_OUT              _list                   ""
ALLOW_DNAME_EDIT	_logical		1
ALLOW_SAME_DNAME	_logical		1
# Lists of names from input file (may be multiple datasets in file)
FILE_PNAME,0		_text			""
FILE_XNAME,0		_text			""
FILE_DNAME,0		_text			""
FILE_PNAME,1		_text			""
FILE_XNAME,1		_text			""
FILE_DNAME,1		_text			""



ACCEPT_OVERLOADS        _logical                0
ACCEPT_PKRATIO          _logical                0
ACCEPT_BGGRADIENT	_logical                0
ACCEPT_EDGE		_logical                0
PKRATIO                 _positivereal           3.5
BGGRADIENT              _positivereal           0.03

@ [FileJoin [GetEnvPath CCP4I_TOP] tasks uniqueify.def]

# Over-ride the value set in uniqueify.def
UNIQUEIFY               _logical                0
