Difference between revisions of "End-of-line"
From NMReDATA
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| − | + | In ordert to avoid the problem that CDK librairies ignore the end-of-line (<EOL>, ASCII code 10) and sometimes add them in an uncontroled manner. We introduced a reliable line separator. We use backslash + <EOL> in NMReDATA tags) (In principle only the backslash is necessary since the <EOL> should be ignored when parsing. But we request using both for increased readability for humans.) | |
| + | |||
| + | For version >1 (only!) the usual <EOL> should be ignored. | ||
Tag should look like this... | Tag should look like this... | ||
> <NMREDATA_ASSIGNMENT> | > <NMREDATA_ASSIGNMENT> | ||
| − | A, 48.3010, 1 ;the label "A" corresponds to | + | A, 48.3010, 1 ;the label "A" corresponds to atom one which is the carbon of the CH2<span style="color:#0808F8">'''\'''</span> |
B, 20.3220, 2 ;atom two is the carbon of the CH3<span style="color:#0808F8">'''\'''</span> | B, 20.3220, 2 ;atom two is the carbon of the CH3<span style="color:#0808F8">'''\'''</span> | ||
a, 2.6100, H3 ;"H3" refers to the hydrogen atom of atom 3 (the oxygen)<span style="color:#0808F8">'''\'''</span> | a, 2.6100, H3 ;"H3" refers to the hydrogen atom of atom 3 (the oxygen)<span style="color:#0808F8">'''\'''</span> | ||
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c, 1.4010, H2<span style="color:#0808F8">'''\'''</span> | c, 1.4010, H2<span style="color:#0808F8">'''\'''</span> | ||
| − | but it may look like this | + | but it may look like this ''(note how data items 2, 3 and 4 are split across two lines)'' |
| − | > <NMREDATA_ASSIGNMENT> | + | > <NMREDATA_ASSIGNMENT> |
A, 48.3010, 1 ;the label "A" corresponds to the atom one which is the carbon of the CH2<span style="color:#0808F8">'''\'''</span> | A, 48.3010, 1 ;the label "A" corresponds to the atom one which is the carbon of the CH2<span style="color:#0808F8">'''\'''</span> | ||
B, 20.3220, | B, 20.3220, | ||
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c, 1.4010, H2<span style="color:#0808F8">'''\'''</span> | c, 1.4010, H2<span style="color:#0808F8">'''\'''</span> | ||
| − | Note: There will never be two consecutive | + | Note: There will never be two consecutive <EOL>, because this is the end-of-tag signal. |
| − | Conclusion | + | Conclusion: For V > 1.0 the <EOL> should be ignored and then the "\" be replaced with <EOL>. |
| − | When writing, the | + | When writing, the <EOL> should always come after a backslash. |
Latest revision as of 08:50, 23 October 2019
In ordert to avoid the problem that CDK librairies ignore the end-of-line (<EOL>, ASCII code 10) and sometimes add them in an uncontroled manner. We introduced a reliable line separator. We use backslash + <EOL> in NMReDATA tags) (In principle only the backslash is necessary since the <EOL> should be ignored when parsing. But we request using both for increased readability for humans.)
For version >1 (only!) the usual <EOL> should be ignored.
Tag should look like this...
> <NMREDATA_ASSIGNMENT> A, 48.3010, 1 ;the label "A" corresponds to atom one which is the carbon of the CH2\ B, 20.3220, 2 ;atom two is the carbon of the CH3\ a, 2.6100, H3 ;"H3" refers to the hydrogen atom of atom 3 (the oxygen)\ b, 4.8020, H1 ;"H1" refers to the hydrogen atoms of atom 1 (of the CH2)\ c, 1.4010, H2\
but it may look like this (note how data items 2, 3 and 4 are split across two lines)
> <NMREDATA_ASSIGNMENT> A, 48.3010, 1 ;the label "A" corresponds to the atom one which is the carbon of the CH2\ B, 20.3220, 2 ;atom two is the carbon of the CH3\ a, 2.61 00, H3 ;"H3" refers to the hydrogen atom of atom 3 (the oxygen)\ b, 4.8020, H1 ;"H1" refers to the hydrogen atoms of atom 1 (of the CH2)\ c, 1.4010, H2\
Note: There will never be two consecutive <EOL>, because this is the end-of-tag signal.
Conclusion: For V > 1.0 the <EOL> should be ignored and then the "\" be replaced with <EOL>. When writing, the <EOL> should always come after a backslash.
