the table data processing for the new table forming

User 247c00dc1d

20-06-2013 17:09:59

Dear Sir,

I have the task to create the New detail table by treating of the the Structure table.

The initial  table which I have (imported into IJC from sdf-file), among other, contains next fields:

ID  A1  B1 C1 A2 B2 C2 D
STR001 132 17 56 38 2 F77
STR002 25 73 50 56 61 N93
STR003 45 41 56 51 F64

I need a some script which will do next:

Script should ask: generate the new table using Data from group 1 (A1;B1,C1) or group 2 (A2;B2,C2)?

if group 1 was choosed built the next table: 

1) If for the curent ID in the field Ai, Bi, Ci of selected group i the data exists,  then new string is forming, and filled like in table bellow, else (like in the case of C1 for STR001) new string not forming.

2) adding the marker  to the ID (shows the field from what data  was taken) - as example, in 1st row to the ID added: -(A), and new IDpx is: STR001-(A). Field E contain the data from correspond cross-cell. So, for single ID several strings can be formed with different markers at ID and value in field E but field D will be same

So in the our case should apear next table:

IDpx     E      D
STR001-(A) 132 F77
STR001-(B) 17 F77
STR002-(A) 25 N93
STR002-(B) 73 N93
STR002-(C) 50 N93
STR002-(C) 45 F64

And one more script for the exporting of some field (for example IDpx and E) of obtained table  into the Excel (r) 

Help me please with this difficult tasks...


p.s. sorry for my English :)


ChemAxon 2bdd02d1e5

24-06-2013 10:11:25

Hi Igor,

I suppose you already know our script examples in IJC developer documentation, particularly small script examples are easy to read and can be combined together into a large script which satisfy your needs. Especially read the scriptlets about creating entities, creating fields, inserting rows of data and exporting data (it shows how to read values from a table).

Your problem seems to be quite complex. Is there any particular obstacle you encounter?

If you are interested we may be able to write the exact script you need as a part of some additional consultancy service.

I'm affraid that currently we don't have a script example for exporting to Excel, maybe we'll find some among the colleagues.


User 247c00dc1d

25-06-2013 12:47:04

Hi Filip,

Thanks for the links!

As I understand, something like I need doing the next script:

as I understand: if condition is satisfied, then some data (microspecies) generating and will be copied into a data table.

Maybe You have a demonstrative database, where I can try the script in action? Or can I make this request to Erin Bolstad?



ChemAxon 2bdd02d1e5

26-06-2013 12:58:42

Hi Igor,

I'm concerned that it will not be possible to provide you that sample project if there are some confidential data. Hopefully I'm wrong :) I've asked Erin about it, she may have some suggestion or a different sample project.