unable to load into MarvinJS

User 870ab5b546

25-11-2014 19:06:43

Can you tell me why I can't load the following MRV into MarvinSketch? I understand that MarvinSketch doesn't understand textboxes, but it has previously omitted them when importing the rest of the structure. When I delete either textbox, the structures import. But it's not as simple as "more than one textbox means no import," because the next MRV has four textboxes, and it imports just fine.


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<molecule molID="m1">
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<bond id="b2" atomRefs2="a5 a10" order="1"/>
<bond id="b3" atomRefs2="a10 a6" order="1"/>
<bond id="b4" atomRefs2="a6 a7" order="1"/>
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<bond id="b8" atomRefs2="a10 a11" order="1"/>
<bond id="b9" atomRefs2="a12 a13" order="1"/>
<bond id="b10" atomRefs2="a13 a14" order="1"/>
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<bond id="b15" atomRefs2="a17 a18" order="1"/>
<bond id="b16" atomRefs2="a18 a19" order="1"/>
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<bond id="b18" atomRefs2="a16 a32" order="1"/>
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<bond id="b20" atomRefs2="a22 a23" order="1"/>
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<bond id="b27" atomRefs2="a30 a31" order="1"/>
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<cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.chemaxon.com/marvin/schema/mrvSchema_14_10_13.xsd" version="ChemAxon file format v14.10.13, generated by v14.11.10.0">
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<Field name="text"><![CDATA[Initiation part (in this case, just one step)]]></Field>
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<Field name="text"><![CDATA[The last box of the
initiation part is also
the first box of the
propagation part. Note that Cl{subL=-1,scale=0.7,dy=-0.4}3{subL=0,scale=1.0}C\\u2022 is a product both of the last initiation step and of the second propagation step.]]></Field>
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<Field name="text"><![CDATA[The alkyl bromide is a product of the second propagation step. Include this product in the same box as the other products of the preceding mechanistic step (right to left).]]></Field>
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<Field name="text"><![CDATA[The steps in the propagation are
arranged in a circle, in this case,
of two steps.
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</MElectronContainer>
<MElectronContainer id="o65" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a30" difLoc="-0.2746647136020748 0.27466471360207123 0.0"/>
<MElectron atomRefs="m1.a30" difLoc="-0.3751989763036043 0.10053426270153576 0.0"/>
</MElectronContainer>
<MElectronContainer id="o66" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a31" difLoc="0.3751989763036008 -0.10053426270153487 0.0"/>
<MElectron atomRefs="m1.a31" difLoc="0.3751989763036008 0.10053426270153487 0.0"/>
</MElectronContainer>
<MElectronContainer id="o67" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a31" difLoc="0.10053426270153665 0.3751989763036061 0.0"/>
<MElectron atomRefs="m1.a31" difLoc="-0.10053426270153665 0.3751989763036061 0.0"/>
</MElectronContainer>
<MElectronContainer id="o68" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a31" difLoc="-0.10053426270153665 -0.3751989763036061 0.0"/>
<MElectron atomRefs="m1.a31" difLoc="0.10053426270153665 -0.3751989763036061 0.0"/>
</MElectronContainer>
<MElectronContainer id="o69" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a32" difLoc="0.1005342627015331 -0.3751989763036061 0.0"/>
<MElectron atomRefs="m1.a32" difLoc="0.2746647136020677 -0.274664713602073 0.0"/>
</MElectronContainer>
<MElectronContainer id="o70" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a32" difLoc="0.3751989763036043 0.10053426270153487 0.0"/>
<MElectron atomRefs="m1.a32" difLoc="0.2746647136020677 0.27466471360207123 0.0"/>
</MElectronContainer>
<MElectronContainer id="o71" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a32" difLoc="-0.3751989763036043 -0.10053426270153487 0.0"/>
<MElectron atomRefs="m1.a32" difLoc="-0.2746647136020748 -0.27466471360206945 0.0"/>
</MElectronContainer>
<MRectangle id="o72">
<MPoint x="-7.105050563812256" y="8.936249732971191"/>
<MPoint x="0.732479453086853" y="8.936249732971191"/>
<MPoint x="0.732479453086853" y="-2.929917812347412"/>
<MPoint x="-7.105050563812256" y="-2.929917812347412"/>
</MRectangle>
<MPolyline id="o73" headLength="0.6" headWidth="0.4">
<MRectanglePoint pos="6" rectRef="o8"/>
<MRectanglePoint pos="4" rectRef="o72"/>
</MPolyline>
<MPolyline id="o74" headLength="0.6" headWidth="0.4">
<MRectanglePoint pos="5" rectRef="o72"/>
<MRectanglePoint pos="7" rectRef="o9"/>
</MPolyline>
<MPolyline id="o75" headLength="0.6" headWidth="0.4">
<MRectanglePoint pos="3" rectRef="o9"/>
<MRectanglePoint pos="2" rectRef="o72"/>
</MPolyline>
</MDocument>
</cml>


ChemAxon 76c88f5366

27-11-2014 16:42:25

Dear Bob, 
I can not reproduce this issue. I can open the first and the second MRV as well, without eliminating the textboxes by pasting the source into the input field (in Import dialog) then clicking "Import" or by copy-paste. 


Could you give us more details about this issue, please?
What kind of operating system, and browser you use? 
Does this problem  also occur, when you try to open this MRV with the Marvin JS on our website?
(https://marvinjs-demo.chemaxon.com/latest/demo.html)


Regards, 
Eszter 

User 870ab5b546

27-11-2014 23:35:45

OK, this is interesting. When I copy the code in my post, I can paste it into MarvinJS, either with command-V or by using the Import dialog box. However, if I copy the code from its original source, I cannot paste it in. I'm attaching the HTML page from which I copied and pasted the original source.


Also, here is the code that I use to load the MRV into MarvinJS when I open it. This code fails to work. However, if I use MarvinSketch to modify the drawing so that only one or the other textbox is present, then it works.


		<table class="whiteTable" summary=""><tr>
<td>
<span id="responseAppletCell">
<script type="text/javascript">
// <!-- >
startMarvinJS('<?xml version="1.0" ?>\n<MDocument>\n <MChemicalStruct>\n <molecule molID="m1">\n <atomArray\n atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12 a13 a14 a15 a16 a17 a18 a19 a20 a21 a22 a23 a24 a25 a26 a27 a28 a29 a30 a31 a32 a33"\n elementType="Br Br Br Br C C C C H C H C C C C C C C C Br Br C C C C Br Br C H C H C H"\n radical="0 0 monovalent monovalent 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 monovalent 0 0 monovalent 0 monovalent 0"\n x2="-9.391666412353516 -7.851666412353516 -2.3333332538604736 -10.208333015441895 -4.7833333015441895 -5.553337213173995 -4.013329389914382 -3.5374669725271612 -7.362878752389253 -6.029199630561218 -7.362878752389253 3.2083332538604736 1.9624669248434459 2.438329342230668 3.978337165490281 -8.866666913032532 -10.11253324204956 -9.636670824662337 -8.096663001402725 -4.5616668653488155 -3.0216668653488155 3.0444345305403444 1.7985682015233158 2.2744306189105385 3.814438442170152 5.777826632042538 8.399999499320984 4.290300859557373 5.379245302584656 4.454199582877502 5.941725355362667 -7.620800584015502 -7.620800584015502"\n y2="14.350000381469727 14.350000381469727 14.524999618530273 10.091667175292969 10.584991873307828 8.21522783487594 8.21522783487594 9.67977527479583 10.449775274795831 9.67977527479583 8.909775274795829 10.64332527021945 9.738108671707451 8.27356123178756 8.27356123178756 4.538742006822233 3.633525408310234 2.168977968390344 2.168977968390344 3.637083053588867 3.637083053588867 4.521515969691567 3.6162993711795686 2.1517519312596782 2.1517519312596782 4.014880700637452 3.1704163551330566 3.6162993711795686 2.5273549281522856 9.738108671707451 10.136690001165332 3.633525408310234 5.173525408310234"\n \/>\n <bondArray>\n <bond atomRefs2="a1 a2" order="1" \/>\n <bond atomRefs2="a5 a10" order="1" \/>\n <bond atomRefs2="a10 a6" order="1" \/>\n <bond atomRefs2="a6 a7" order="1" \/>\n <bond atomRefs2="a7 a8" order="1" \/>\n <bond atomRefs2="a5 a8" order="1" \/>\n <bond atomRefs2="a10 a9" order="1" \/>\n <bond atomRefs2="a10 a11" order="1" \/>\n <bond atomRefs2="a12 a13" order="1" \/>\n <bond atomRefs2="a13 a14" order="1" \/>\n <bond atomRefs2="a14 a15" order="1" \/>\n <bond atomRefs2="a15 a30" order="1" \/>\n <bond atomRefs2="a12 a30" order="1" \/>\n <bond atomRefs2="a16 a17" order="1" \/>\n <bond atomRefs2="a17 a18" order="1" \/>\n <bond atomRefs2="a18 a19" order="1" \/>\n <bond atomRefs2="a19 a32" order="1" \/>\n <bond atomRefs2="a16 a32" order="1" \/>\n <bond atomRefs2="a20 a21" order="1" \/>\n <bond atomRefs2="a22 a23" order="1" \/>\n <bond atomRefs2="a23 a24" order="1" \/>\n <bond atomRefs2="a24 a25" order="1" \/>\n <bond atomRefs2="a25 a28" order="1" \/>\n <bond atomRefs2="a22 a28" order="1" \/>\n <bond atomRefs2="a28 a26" order="1" \/>\n <bond atomRefs2="a28 a29" order="1" \/>\n <bond atomRefs2="a30 a31" order="1" \/>\n <bond atomRefs2="a32 a33" order="1" \/>\n <\/bondArray>\n <\/molecule>\n <\/MChemicalStruct>\n <MEFlow id="o2" arcAngle="-254.995522631729" headSkip="0.25"\n headFlags="2" headLength="0.5" headWidth="0.4" tailSkip="0.15">\n <MAtomSetPoint atomRefs="m1.a1 m1.a2" \/>\n <MAtomSetPoint atomRefs="m1.a1" \/>\n <\/MEFlow>\n <MEFlow id="o3" arcAngle="248.39738999999997" headSkip="0.25"\n headFlags="2" headLength="0.5" headWidth="0.4" tailSkip="0.15">\n <MAtomSetPoint atomRefs="m1.a1 m1.a2" \/>\n <MAtomSetPoint atomRefs="m1.a2" \/>\n <\/MEFlow>\n <MPolyline id="o4" headLength="0.8" headWidth="0.5">\n <MPoint x="-6.125" y="14.408333778381348" \/>\n <MPoint x="-4.025000095367432" y="14.466666221618652" \/>\n <\/MPolyline>\n <MTextBox id="o5" fontScale="10.0">\n <Field name="text">Initiation:<\/Field>\n <MPoint x="-12.016666412353516" y="16.858333587646484" \/>\n <MPoint x="-9.347333079020185" y="16.85833358764647" \/>\n <MPoint x="-9.347333079020185" y="16.088333587646474" \/>\n <MPoint x="-12.01666641235352" y="16.088333587646485" \/>\n <\/MTextBox>\n <MTextBox id="o6" fontScale="10.0">\n <Field name="text">Propagation:<\/Field>\n <MPoint x="-12.074999809265137" y="12.774999618530273" \/>\n <MPoint x="-8.327666475931803" y="12.774999618530282" \/>\n <MPoint x="-8.327666475931803" y="12.004999618530283" \/>\n <MPoint x="-12.074999809265137" y="12.004999618530276" \/>\n <\/MTextBox>\n <MEFlow id="o7" arcAngle="171.0" headSkip="0.15" headFlags="2"\n headLength="0.5" headWidth="0.4" tailSkip="0.25">\n <MAtomSetPoint atomRefs="m1.a4" \/>\n <MAtomSetPoint atomRefs="m1.a4 m1.a9" \/>\n <\/MEFlow>\n <MEFlow id="o8" arcAngle="150.0" headSkip="0.15" headFlags="2"\n headLength="0.5" headWidth="0.4" tailSkip="0.15">\n <MAtomSetPoint atomRefs="m1.a10 m1.a9" \/>\n <MAtomSetPoint atomRefs="m1.a4 m1.a9" \/>\n <\/MEFlow>\n <MEFlow id="o9" arcAngle="248.39738999999997" headSkip="0.25"\n headFlags="2" headLength="0.5" headWidth="0.4" tailSkip="0.15">\n <MAtomSetPoint atomRefs="m1.a10 m1.a9" \/>\n <MAtomSetPoint atomRefs="m1.a10" \/>\n <\/MEFlow>\n <MPolyline id="o10" headLength="0.8" headWidth="0.5">\n <MPoint x="-1.9249999523162842" y="9.420833587646484" \/>\n <MPoint x="0.17499995231628418" y="9.479166030883789" \/>\n <\/MPolyline>\n <MEFlow id="o11" arcAngle="248.39738999999997" headSkip="0.25"\n headFlags="2" headLength="0.5" headWidth="0.4" tailSkip="0.15">\n <MAtomSetPoint atomRefs="m1.a20 m1.a21" \/>\n <MAtomSetPoint atomRefs="m1.a21" \/>\n <\/MEFlow>\n <MPolyline id="o12" headLength="0.8" headWidth="0.5">\n <MPoint x="-1.7500000596046448" y="3.1995835304260254" \/>\n <MPoint x="0.3499998450279236" y="3.25791597366333" \/>\n <\/MPolyline>\n <MEFlow id="o13" arcAngle="150.0" headSkip="0.15" headFlags="2"\n headLength="0.5" headWidth="0.4" tailSkip="0.25">\n <MAtomSetPoint atomRefs="m1.a32" \/>\n <MAtomSetPoint atomRefs="m1.a32 m1.a20" \/>\n <\/MEFlow>\n <MEFlow id="o14" arcAngle="150.0" headSkip="0.15" headFlags="2"\n headLength="0.5" headWidth="0.4" tailSkip="0.15">\n <MAtomSetPoint atomRefs="m1.a20 m1.a21" \/>\n <MAtomSetPoint atomRefs="m1.a32 m1.a20" \/>\n <\/MEFlow>\n<\/MDocument>\n',
3,
512,
'responseApplet',
'marvin');
// -->
</script>
</span>
</td>
</tr></table>

var MARVIN = 1;
var MECHANISM = 3;
var SYNTHESIS = 6;

var SHOWMAPPING = 128;
var THREEDIM = 256;
var SHOWLONEPAIRS = 512;
var IMPLICITHMASK = 263168;
var SHOWNOH = 262144;
var SHOWHETEROH = 263168;
var SHOWALLH = 1024;
var SHOWALLC = 8388608;
var SHOWRSLABELS = 2048;
var BADVALENCEINVISIBLE = 16777216;
var SHOW_COORD_BOND = 1073741824;

var marvinSketcherInstance;

function startMarvinJS(mol, qTypeRaw, qFlags, appletName) {
var qTypeNeg = qTypeRaw < 0;
var qType = Math.abs(qTypeRaw);
var isMechanism = qType == MECHANISM;
var isSynthesis = qType == SYNTHESIS;
var panelWidth = 450;
var panelHeight = (['responseApplet', 'synthAuthApplet',
'hybridMarvin', 'pKaMarvin', 'targetapplet', 'queryapplet',
'evalApplet'].contains(appletName) ? 400 : 350);
if (((isMechanism || isSynthesis) && !qTypeNeg) ||
(!isMechanism && !isSynthesis && qTypeNeg)) {
panelWidth = 500;
panelHeight = (appletName == 'responseApplet' ? 530 : 500);
}

// use of editorws.html in following line makes it possible to use
// JChem Web Services
var bld = new String.builder().
append('<iframe id="').append(appletName).
append('" class="sketcher-frame" ' +
'src="\/nosession\/marvinJS\/editorws.html" ');
if (is3D(qFlags)) {
bld.append('data-templateurl="templates\/3DTemplates.mrv" ');
} // if is3D
bld.append('style="min-width:').append(panelWidth).
append('px; min-height:').append(panelHeight).
append('px; overflow:hidden; border:1px solid darkgray;" \/><\/iframe>');
var iframe = bld.toString();
setInnerHTML(appletName + 'Cell', iframe);

$(document).ready(function handleDocumentReady(e) {
getMarvinPromise('#' + appletName).done(function (sketcherInstance) {
marvinSketcherInstance = sketcherInstance;
marvinSketcherInstance.setDisplaySettings({
'toolbars': 'reporting',
'copyasmrv': true,
'carbonLabelVisible': allCVisible(qFlags),
'implicitHydrogen': getHVisibilityJS(qFlags),
'valenceErrorVisible': valenceErrorVisible(qFlags),
'atomIndicesVisible': appletName === 'hybridMarvin',
'lonePairsVisible': lonePairsVisible(qFlags),
'atomMapsVisible': atomMapsVisible(qFlags),
'chiralFlagVisible': true,
'cpkColoring': true
});
marvinSketcherInstance.importStructure(null, mol);
if (loadSelections) loadSelections();
}).fail(function () {
alert('Cannot retrieve sketcher instance from iframe.');
});
});
} // startMarvinJS()

/* Gets whether to show H atoms. */
function getHVisibilityJS(flags) {
return ((flags & IMPLICITHMASK) == SHOWNOH ? 'OFF' :
(flags & IMPLICITHMASK) == SHOWHETEROH ? 'HETERO' :
(flags & IMPLICITHMASK) == SHOWALLH ? 'ALL' :
'TERMINAL_AND_HETERO');
} // getHVisibilityJS()

/* Gets whether to show C atoms. */
function allCVisible(flags) {
return (flags & SHOWALLC) !== 0;
} // allCVisible()

/* Gets whether to show valence errors. */
function valenceErrorVisible(flags) {
return (flags & BADVALENCEINVISIBLE) === 0;
} // valenceErrorVisible()

/* Gets whether to show atom mapping. */
function atomMapsVisible(flags) {
return (flags & SHOWMAPPING) !== 0;
} // atomMapsVisible()

/* Gets whether to show lone pairs. */
function lonePairsVisible(flags) {
return (flags & SHOWLONEPAIRS) !== 0;
} // lonePairsVisible()

/* Gets whether to show R/S configurations. */
function configsRSVisible(flags) {
return ((flags & SHOWRSLABELS) !== 0 ? 'ALL' : 'OFF');
} // configsRSVisible()

/* Gets whether to display 3D templates. */
function is3D(flags) {
return (flags & THREEDIM) !== 0;
} // is3D()

ChemAxon 76c88f5366

28-11-2014 13:52:15

Thank you for the example. We have found the reason of the failing import. In your example certain electron flow arrow tags follow unexpected syntax than the marvin JS MRV import expects. 


We will fix it as soon as possible. 


Best regards,
Eszter 

User 870ab5b546

12-01-2015 14:57:50

Any idea when this MRV import bug will be fixed?

ChemAxon f052bdfe3c

16-01-2015 08:56:18

Hi Bob,


We put this task in our backlog but unfortunately, I cannot promise a deadline when this will be fixed.


Best regards,


Efi