def createHtmlX3dna(project, ranges = None):
""" Read out wiPlotList to see what get's created. """
if not getDeepByKeysOrAttributes(plugins, MATPLIB_STR, IS_INSTALLED_STR):
nTdebug('Skipping createHtmlWattos because no matplib installed.')
return
from cing.PluginCode.matplib import MoleculePlotSet #@UnresolvedImport
# The following object will be responsible for creating a (png/pdf) file with
# possibly multiple pages
# Level 1: row
# Level 2: against main or alternative y-axis
# Level 3: plot parameters dictionary (extendible).
keyLoLoL = []
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, SHIFT_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, SLIDE_STR]
plotAttributesRowMain[ KEY_LIST3_STR] = [ X3DNA_STR, RISE_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ SHIFT_STR ]
keyLoLoL.append([ [plotAttributesRowMain] ])
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, TILT_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, ROLL_STR]
plotAttributesRowMain[ KEY_LIST3_STR] = [ X3DNA_STR, TWIST_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ TILT_STR ]
keyLoLoL.append([ [plotAttributesRowMain] ])
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, SHEAR_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, STRETCH_STR]
plotAttributesRowMain[ KEY_LIST3_STR] = [ X3DNA_STR, STAGGER_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ SHEAR_STR ]
keyLoLoL.append([ [plotAttributesRowMain] ])
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, BUCKLE_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, PROPELLER_STR]
plotAttributesRowMain[ KEY_LIST3_STR] = [ X3DNA_STR, OPENING_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ BUCKLE_STR ]
keyLoLoL.append([ [plotAttributesRowMain] ])
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, MINPP_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, MAJPP_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ MINPP_STR ]
plotAttributesRowMain[ USE_ZERO_FOR_MIN_VALUE_STR] = True
plotAttributesRowMain[ USE_MAX_VALUE_STR] = 30.0
keyLoLoL.append([ [plotAttributesRowMain] ])
printLink = project.moleculePath(X3DNA_STR, project.molecule.name + x3dnaPlotList[0][0] + ".pdf")
moleculePlotSet = MoleculePlotSet(project = project, ranges = ranges, keyLoLoL = keyLoLoL)
moleculePlotSet.renderMoleculePlotSet(printLink, createPngCopyToo = True)
def createHtmlX3dna(project, ranges = None):
""" Read out wiPlotList to see what get's created. """
if not getDeepByKeysOrAttributes(plugins, MATPLIB_STR, IS_INSTALLED_STR):
nTdebug('Skipping createHtmlWattos because no matplib installed.')
return
from cing.PluginCode.matplib import MoleculePlotSet #@UnresolvedImport
# The following object will be responsible for creating a (png/pdf) file with
# possibly multiple pages
# Level 1: row
# Level 2: against main or alternative y-axis
# Level 3: plot parameters dictionary (extendible).
keyLoLoL = []
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, SHIFT_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, SLIDE_STR]
plotAttributesRowMain[ KEY_LIST3_STR] = [ X3DNA_STR, RISE_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ SHIFT_STR ]
keyLoLoL.append([ [plotAttributesRowMain] ])
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, TILT_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, ROLL_STR]
plotAttributesRowMain[ KEY_LIST3_STR] = [ X3DNA_STR, TWIST_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ TILT_STR ]
keyLoLoL.append([ [plotAttributesRowMain] ])
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, SHEAR_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, STRETCH_STR]
plotAttributesRowMain[ KEY_LIST3_STR] = [ X3DNA_STR, STAGGER_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ SHEAR_STR ]
keyLoLoL.append([ [plotAttributesRowMain] ])
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, BUCKLE_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, PROPELLER_STR]
plotAttributesRowMain[ KEY_LIST3_STR] = [ X3DNA_STR, OPENING_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ BUCKLE_STR ]
keyLoLoL.append([ [plotAttributesRowMain] ])
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ X3DNA_STR, MINPP_STR]
plotAttributesRowMain[ KEY_LIST2_STR] = [ X3DNA_STR, MAJPP_STR]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ MINPP_STR ]
plotAttributesRowMain[ USE_ZERO_FOR_MIN_VALUE_STR] = True
plotAttributesRowMain[ USE_MAX_VALUE_STR] = 30.0
keyLoLoL.append([ [plotAttributesRowMain] ])
printLink = project.moleculePath(X3DNA_STR, project.molecule.name + x3dnaPlotList[0][0] + ".pdf")
moleculePlotSet = MoleculePlotSet(project = project, ranges = ranges, keyLoLoL = keyLoLoL)
moleculePlotSet.renderMoleculePlotSet(printLink, createPngCopyToo = True)
def createHtmlWattos(project, ranges=None):
""" Read out wiPlotList to see what get's created. """
if not getDeepByKeysOrAttributes(plugins, MATPLIB_STR, IS_INSTALLED_STR):
# nTdebug('Skipping createHtmlWattos because no matplib installed.')
return
from cing.PluginCode.matplib import MoleculePlotSet #@UnresolvedImport
# wiPlotList.append( ('_01_backbone_chi','QUA/RAM/BBC/C12') )
# The following object will be responsible for creating a (png/pdf) file with
# possibly multiple pages
# Level 1: row
# Level 2: against main or alternative y-axis
# Level 3: plot parameters dictionary (extendable).
keyLoLoL = []
plotAttributesRowMain = NTdict()
plotAttributesRowMain[KEY_LIST_STR] = [
WATTOS_STR, COMPLCHK_STR, VALUE_LIST_STR
]
plotAttributesRowMain[YLABEL_STR] = Wattos.shortNameDict[COMPLCHK_STR]
plotAttributesRowMain[USE_ZERO_FOR_MIN_VALUE_STR] = True
plotAttributesRowMain[USE_MAX_VALUE_STR] = 100.0
keyLoLoL.append([[plotAttributesRowMain]])
plotAttributesRowMain = NTdict()
plotAttributesRowAlte = NTdict()
plotAttributesRowMain[KEY_LIST_STR] = [
WATTOS_STR, OBS_COUNT_STR, VALUE_LIST_STR
]
plotAttributesRowMain[KEY_LIST2_STR] = [
WATTOS_STR, EXP_COUNT_STR, VALUE_LIST_STR
]
plotAttributesRowMain[KEY_LIST3_STR] = [
WATTOS_STR, MAT_COUNT_STR, VALUE_LIST_STR
]
plotAttributesRowAlte[KEY_LIST_STR] = [
WATTOS_STR, OBS_ATOM_COUNT_STR, VALUE_LIST_STR
]
plotAttributesRowMain[YLABEL_STR] = Wattos.shortNameDict[OBS_COUNT_STR]
plotAttributesRowAlte[YLABEL_STR] = Wattos.shortNameDict[
OBS_ATOM_COUNT_STR]
plotAttributesRowMain[USE_ZERO_FOR_MIN_VALUE_STR] = True
keyLoLoL.append([[plotAttributesRowMain], [plotAttributesRowAlte]])
printLink = project.moleculePath(
'wattos', project.molecule.name + wattosPlotList[0][0] + ".pdf")
moleculePlotSet = MoleculePlotSet(project=project,
ranges=ranges,
keyLoLoL=keyLoLoL)
moleculePlotSet.renderMoleculePlotSet(printLink, createPngCopyToo=True)
def createHtmlWattos(project, ranges = None):
""" Read out wiPlotList to see what get's created. """
if not getDeepByKeysOrAttributes(plugins, MATPLIB_STR, IS_INSTALLED_STR):
# nTdebug('Skipping createHtmlWattos because no matplib installed.')
return
from cing.PluginCode.matplib import MoleculePlotSet #@UnresolvedImport
# wiPlotList.append( ('_01_backbone_chi','QUA/RAM/BBC/C12') )
# The following object will be responsible for creating a (png/pdf) file with
# possibly multiple pages
# Level 1: row
# Level 2: against main or alternative y-axis
# Level 3: plot parameters dictionary (extendable).
keyLoLoL = []
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WATTOS_STR, COMPLCHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = Wattos.shortNameDict[ COMPLCHK_STR ]
plotAttributesRowMain[ USE_ZERO_FOR_MIN_VALUE_STR] = True
plotAttributesRowMain[ USE_MAX_VALUE_STR] = 100.0
keyLoLoL.append([ [plotAttributesRowMain] ])
plotAttributesRowMain = NTdict()
plotAttributesRowAlte = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WATTOS_STR, OBS_COUNT_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ KEY_LIST2_STR] = [ WATTOS_STR, EXP_COUNT_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ KEY_LIST3_STR] = [ WATTOS_STR, MAT_COUNT_STR, VALUE_LIST_STR ]
plotAttributesRowAlte[ KEY_LIST_STR] = [ WATTOS_STR, OBS_ATOM_COUNT_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = Wattos.shortNameDict[ OBS_COUNT_STR ]
plotAttributesRowAlte[ YLABEL_STR] = Wattos.shortNameDict[ OBS_ATOM_COUNT_STR ]
plotAttributesRowMain[ USE_ZERO_FOR_MIN_VALUE_STR] = True
keyLoLoL.append([ [plotAttributesRowMain], [plotAttributesRowAlte] ])
printLink = project.moleculePath('wattos', project.molecule.name + wattosPlotList[0][0] + ".pdf")
moleculePlotSet = MoleculePlotSet(project = project, ranges = ranges, keyLoLoL = keyLoLoL)
moleculePlotSet.renderMoleculePlotSet(printLink, createPngCopyToo = True)
def createHtmlWhatif(project, ranges=None):
""" Read out wiPlotList to see what get's created. """
if not getDeepByKeysOrAttributes(plugins, MATPLIB_STR, IS_INSTALLED_STR):
nTdebug('Skipping createHtmlWattos because no matplib installed.')
return
from cing.PluginCode.matplib import MoleculePlotSet #@UnresolvedImport
mol = project.molecule
# wiPlotList.append( ('_01_backbone_chi','QUA/RAM/BBC/C12') )
# The following object will be responsible for creating a (png/pdf) file with
# possibly multiple pages
# Level 1: row
# Level 2: against main or alternative y-axis
# Level 3: plot parameters dictionary (extendable).
keyLoLoL = []
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, QUACHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ QUACHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, RAMCHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ RAMCHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, BBCCHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ BBCCHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowAlte = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, C12CHK_STR, VALUE_LIST_STR ]
plotAttributesRowAlte[ KEY_LIST_STR] = [ WHATIF_STR, ROTCHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ C12CHK_STR ]
plotAttributesRowAlte[ YLABEL_STR] = shortNameDict[ ROTCHK_STR ]
# plotAttributesRowMain[ USE_ZERO_FOR_MIN_VALUE_STR] = True
keyLoLoL.append( [ [plotAttributesRowMain], [plotAttributesRowAlte] ] )
# printLink = os.path.join(
# project.rootPath( project.name )[0],
# project.molecule.name,
# project.moleculeDirectories.whatif,
# mol.name + wiPlotList[-1][0] + ".pdf" )
#gv
printLink = project.moleculePath( 'whatif', mol.name + wiPlotList[0][0] + ".pdf" )
moleculePlotSet = MoleculePlotSet(project=project, ranges=ranges, keyLoLoL=keyLoLoL )
moleculePlotSet.renderMoleculePlotSet( printLink, createPngCopyToo=True )
# wiPlotList.append( ('_02_bond_angle','BND/ANG/NQA/PLNCHK') )
keyLoLoL = []
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, BNDCHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ BNDCHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, ANGCHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ ANGCHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, NQACHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ NQACHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowAlte = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, PLNCHK_STR, VALUE_LIST_STR ]
plotAttributesRowAlte[ KEY_LIST_STR] = [ WHATIF_STR, PL2CHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ PLNCHK_STR ]
plotAttributesRowAlte[ YLABEL_STR] = shortNameDict[ PL2CHK_STR ]
# plotAttributesRowMain[ USE_ZERO_FOR_MIN_VALUE_STR] = True
keyLoLoL.append( [ [plotAttributesRowMain], [plotAttributesRowAlte] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, PL3CHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ PL3CHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
# printLink = os.path.join(
# project.rootPath( project.name )[0],
# mol.name,
# project.moleculeDirectories.whatif,
# mol.name + wiPlotList[-1][0] + ".pdf" )
#gv
printLink = project.moleculePath( 'whatif', mol.name + wiPlotList[1][0] + ".pdf" )
moleculePlotSet = MoleculePlotSet(project=project, ranges=ranges, keyLoLoL=keyLoLoL )
moleculePlotSet.renderMoleculePlotSet( printLink, createPngCopyToo=True )
# wiPlotList.append( ('_03_steric_acc_flip','BMP/ACC/FLP/CHI') )
keyLoLoL = []
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, BMPCHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ BMPCHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowAlte = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, ACCLST_STR, VALUE_LIST_STR ]
plotAttributesRowAlte[ KEY_LIST_STR] = [ WHATIF_STR, INOCHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ ACCLST_STR ]
plotAttributesRowAlte[ YLABEL_STR] = shortNameDict[ INOCHK_STR ]
# plotAttributesRowMain[ USE_ZERO_FOR_MIN_VALUE_STR] = True
keyLoLoL.append( [ [plotAttributesRowMain], [plotAttributesRowAlte] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, FLPCHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ FLPCHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
plotAttributesRowMain = NTdict()
plotAttributesRowMain[ KEY_LIST_STR] = [ WHATIF_STR, CHICHK_STR, VALUE_LIST_STR ]
plotAttributesRowMain[ YLABEL_STR] = shortNameDict[ CHICHK_STR ]
keyLoLoL.append( [ [plotAttributesRowMain] ] )
# printLink = os.path.join(
# project.rootPath( project.name )[0],
# mol.name,
# project.moleculeDirectories.whatif,
# mol.name + wiPlotList[-1][0] + ".pdf" )
#gv
printLink = project.moleculePath( 'whatif', mol.name + wiPlotList[2][0] + ".pdf" )
moleculePlotSet = MoleculePlotSet(project=project, ranges=ranges, keyLoLoL=keyLoLoL )
moleculePlotSet.renderMoleculePlotSet( printLink, createPngCopyToo=True )
