예제 #1
0
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)
예제 #2
0
파일: Wattos.py 프로젝트: VuisterLab/cing
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)